7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine

C16H24N2 — CID 101432855

IUPAC7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine
SMILESCC(C)Nc1ccccc/c1=N\C1CCCCC1
InChIInChI=1S/C16H24N2/c1-13(2)17-15-11-7-4-8-12-16(15)18-14-9-5-3-6-10-14/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3,(H,17,18)
InChIKeyIKYSBUWGWCLMNT-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.74
Rot. Bonds3

About 7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine

7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine (PubChem CID 101432855) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine
PubChem CID101432855
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine
SMILESCC(C)Nc1ccccc/c1=N\C1CCCCC1
InChIInChI=1S/C16H24N2/c1-13(2)17-15-11-7-4-8-12-16(15)18-14-9-5-3-6-10-14/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3,(H,17,18)
InChIKeyIKYSBUWGWCLMNT-UHFFFAOYSA-N
XLogP3.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
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N-[4-(cyclohexen-1-ylimino)hexan-3-yl]cyclohexanamine
CID 54328538
7-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-azepine
CID 123690321
3,5-Dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane
CID 142092732
N-cyclohexa-1,3-dien-1-yl-4-iminocyclohex-2-en-1-amine;ethane
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CID 144946989
4-[C-[(Z)-2-aminoprop-1-enyl]-N-ethenylcarbonimidoyl]-N-ethylcyclohexa-1,3-dien-1-amine
CID 149517259
2,7,15,20-Tetrazatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene
CID 358321
2,6,14,21-Tetrazatricyclo[20.5.0.07,13]heptacosa-1,6,8,10,12,22,24,26-octaene
CID 358327

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine (CID 101432855) is 7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine is CC(C)Nc1ccccc/c1=N\C1CCCCC1.
What is the InChIKey of 7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is IKYSBUWGWCLMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(2)17-15-11-7-4-8-12-16(15)18-14-9-5-3-6-10-14/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of 7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine?
7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexylimino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 101432855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).