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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).