N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine

C28H47N5 — CID 6396147

IUPACN-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine
SMILESC1=CCNC(/C(=N/CCNCC/N=C(\C2CCCCC2)C2CCCCN2)C2CCCCC2)=C1
InChIInChI=1S/C28H47N5/c1-3-11-23(12-4-1)27(25-15-7-9-17-30-25)32-21-19-29-20-22-33-28(24-13-5-2-6-14-24)26-16-8-10-18-31-26/h7,9,15,23-24,26,29-31H,1-6,8,10-14,16-22H2/b32-27+,33-28+
InChIKeySYROBRWYZXQRQF-MOEPYEHSSA-N
MW453.72 g/mol
LogP4.80
Rot. Bonds10

About N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine

N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine (PubChem CID 6396147) has the molecular formula C28H47N5 and a molecular weight of 453.72 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine
PubChem CID6396147
Molecular FormulaC28H47N5
Molecular Weight453.72 g/mol
Exact Mass453.38
IUPAC NameN-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine
SMILESC1=CCNC(/C(=N/CCNCC/N=C(\C2CCCCC2)C2CCCCN2)C2CCCCC2)=C1
InChIInChI=1S/C28H47N5/c1-3-11-23(12-4-1)27(25-15-7-9-17-30-25)32-21-19-29-20-22-33-28(24-13-5-2-6-14-24)26-16-8-10-18-31-26/h7,9,15,23-24,26,29-31H,1-6,8,10-14,16-22H2/b32-27+,33-28+
InChIKeySYROBRWYZXQRQF-MOEPYEHSSA-N
XLogP4.80
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.72
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[6-[4-[3-[4-(4-Cyclohex-2-en-1-yl-6-piperidin-2-ylpiperidin-2-yl)cyclohexyl]-5-[4-[4-(cyclohexen-1-yl)-2-(1,2,3,6-tetrahydropyridin-2-yl)-1,2,3,6-tetrahydropyridin-6-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-4-cyclohexyl-2,3,4,5-tetrahydropyridin-2-yl]hex-5-en-1-amine
CID 88987486
4-[(1E,3Z)-hexa-1,3,5-trienyl]-7-[(3Z)-hexa-1,3,5-trien-2-yl]-2,9-dimethyl-1,6a,10a,10b-tetrahydro-1,10-phenanthroline
CID 90231033
5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine
CID 134604871
4-N-(3-cyclohexyl-6-ethenylimino-5-methyliminocyclohexa-1,3-dien-1-yl)cyclohexane-1,4-diamine
CID 139426731
(Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine
CID 139454009
1,2,3,4,4a,5,6,6a-Octahydrobenzo[b][1,10]phenanthroline
CID 140807047
(E)-N-(cyclohexylmethyl)-N'-(2,3,4,7-tetrahydro-1H-cyclohepta[c]pyridin-3-ylmethyl)but-2-ene-1,4-diamine;2,3,5,6,7,8-hexahydroquinoline
CID 142416669
N-[(E)-1-[[(4Z)-2-(dimethylamino)hexa-1,4-dien-3-ylidene]amino]-2-methylbut-1-enyl]-4-[(7-piperidin-1-yl-2,3-dihydroquinoxalin-5-yl)methyl]cyclohexan-1-amine
CID 173820346
3-[5-[(E)-2-ethyl-4-[5-[(5E)-5-ethylideneoctyl]-2,3,4,5-tetrahydropyridin-2-yl]but-3-enyl]-4-methylidenecyclohex-2-en-1-yl]-2-(6-methylpiperidin-2-yl)-1,4-dihydropyridine
CID 173945232
(4-Cyclohexyliminopiperidin-3-ylidene)-(2-methyl-3-methylidene-1,4,5,6-tetrahydroisoquinolin-5-yl)methanamine
CID 173966053
(E)-1-[3-[amino-(4-cyclohexyliminopiperidin-3-ylidene)methyl]-2-ethenylcyclohexa-1,5-dien-1-yl]-N,N-dipropylprop-1-en-2-amine
CID 173966082
9-[(1R)-3-[(6R)-6-(1,2,4a,5,7,8,9,10,10a,10b-decahydrophenanthridin-6-yl)-3,6-dihydro-2H-azepin-2-yl]cyclohexa-2,4-dien-1-yl]-1,2,6a,10a-tetrahydro-1,10-phenanthroline
CID 174354347

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine?
The IUPAC name of N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine (CID 6396147) is N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine.
What is the SMILES notation for N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine?
The canonical SMILES for N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine is C1=CCNC(/C(=N/CCNCC/N=C(\C2CCCCC2)C2CCCCN2)C2CCCCC2)=C1.
What is the InChIKey of N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine?
The InChIKey is SYROBRWYZXQRQF-MOEPYEHSSA-N. The full InChI is InChI=1S/C28H47N5/c1-3-11-23(12-4-1)27(25-15-7-9-17-30-25)32-21-19-29-20-22-33-28(24-13-5-2-6-14-24)26-16-8-10-18-31-26/h7,9,15,23-24,26,29-31H,1-6,8,10-14,16-22H2/b32-27+,33-28+.
What are the key properties of N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine?
N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine has a molecular weight of 453.72 g/mol, XLogP of 4.80, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(1,2-dihydropyridin-6-yl)methylidene]amino]ethyl]-2-[[cyclohexyl(piperidin-2-yl)methylidene]amino]ethanamine is sourced from PubChem (CID 6396147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).