N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine

C21H31N3 — CID 91462052

IUPACN-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine
SMILESCC(NC1=CCCCC1)c1cccc(C(C)NC2=CCCCC2)n1
InChIInChI=1S/C21H31N3/c1-16(22-18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)23-19-12-7-4-8-13-19/h9-10,12,14-17,22-23H,3-8,11,13H2,1-2H3
InChIKeyOKYDCKGWZFFCBC-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.30
Rot. Bonds6

About N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine

N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine (PubChem CID 91462052) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine.

Molecular Properties

Compound NameN-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine
PubChem CID91462052
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC NameN-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine
SMILESCC(NC1=CCCCC1)c1cccc(C(C)NC2=CCCCC2)n1
InChIInChI=1S/C21H31N3/c1-16(22-18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)23-19-12-7-4-8-13-19/h9-10,12,14-17,22-23H,3-8,11,13H2,1-2H3
InChIKeyOKYDCKGWZFFCBC-UHFFFAOYSA-N
XLogP5.30
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine with MolForge

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Related Compounds

N-propan-2-ylcyclopenten-1-amine
CID 57447311
[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 106648892
N-[1-(6-methyl-2-pyridinyl)ethyl]propan-2-amine
CID 130315705
1-(cyclohexen-1-yl)-2-phenylhydrazine
CID 54141218
1-(cyclohepten-1-yl)-2-methylhydrazine
CID 19049041
N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 106652963
ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline
CID 161478686
N-[[4,6-bis[(cycloocten-1-ylamino)oxy]-1,3,5-triazin-2-yl]oxy]cycloocten-1-amine
CID 90930542
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine
CID 117059096
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
N-[(1S)-1-pyridin-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81401524

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine?
The IUPAC name of N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine (CID 91462052) is N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine.
What is the SMILES notation for N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine?
The canonical SMILES for N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine is CC(NC1=CCCCC1)c1cccc(C(C)NC2=CCCCC2)n1.
What is the InChIKey of N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine?
The InChIKey is OKYDCKGWZFFCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-16(22-18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)23-19-12-7-4-8-13-19/h9-10,12,14-17,22-23H,3-8,11,13H2,1-2H3.
What are the key properties of N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine?
N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine has a molecular weight of 325.50 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine is sourced from PubChem (CID 91462052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).