N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine

C16H24N2 — CID 69220812

IUPACN,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine
SMILESCN(C)C/C1=C(\c2ccncc2)CCCCCC1
InChIInChI=1S/C16H24N2/c1-18(2)13-15-7-5-3-4-6-8-16(15)14-9-11-17-12-10-14/h9-12H,3-8,13H2,1-2H3/b16-15-
InChIKeyPBEHKZCWDZFPPJ-NXVVXOECSA-N
MW244.38 g/mol
LogP3.75
Rot. Bonds3

About N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine

N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine (PubChem CID 69220812) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine
PubChem CID69220812
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine
SMILESCN(C)C/C1=C(\c2ccncc2)CCCCCC1
InChIInChI=1S/C16H24N2/c1-18(2)13-15-7-5-3-4-6-8-16(15)14-9-11-17-12-10-14/h9-12H,3-8,13H2,1-2H3/b16-15-
InChIKeyPBEHKZCWDZFPPJ-NXVVXOECSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine 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,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine (CID 69220812) is N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine is CN(C)C/C1=C(\c2ccncc2)CCCCCC1.
What is the InChIKey of N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine?
The InChIKey is PBEHKZCWDZFPPJ-NXVVXOECSA-N. The full InChI is InChI=1S/C16H24N2/c1-18(2)13-15-7-5-3-4-6-8-16(15)14-9-11-17-12-10-14/h9-12H,3-8,13H2,1-2H3/b16-15-.
What are the key properties of N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine?
N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine has a molecular weight of 244.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1Z)-2-pyridin-4-ylcycloocten-1-yl]methanamine is sourced from PubChem (CID 69220812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).