N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine

C14H22N2 — CID 105182482

IUPACN,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine
SMILESC=C(C)CCC(CCc1ccncc1)NC
InChIInChI=1S/C14H22N2/c1-12(2)4-6-14(15-3)7-5-13-8-10-16-11-9-13/h8-11,14-15H,1,4-7H2,2-3H3
InChIKeyBPLXGRMYZXZCIC-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.96
Rot. Bonds7

About N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine

N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine (PubChem CID 105182482) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine.

Molecular Properties

Compound NameN,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine
PubChem CID105182482
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine
SMILESC=C(C)CCC(CCc1ccncc1)NC
InChIInChI=1S/C14H22N2/c1-12(2)4-6-14(15-3)7-5-13-8-10-16-11-9-13/h8-11,14-15H,1,4-7H2,2-3H3
InChIKeyBPLXGRMYZXZCIC-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

Nicotine
CID 89594
Ethionamide
CID 2761171
Anabasine
CID 205586
3-Methylpyridine
CID 7970
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Pheniramine
CID 4761
Prothionamide
CID 666418
4-Vinylpyridine
CID 7502
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine?
The IUPAC name of N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine (CID 105182482) is N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine.
What is the SMILES notation for N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine?
The canonical SMILES for N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine is C=C(C)CCC(CCc1ccncc1)NC.
What is the InChIKey of N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine?
The InChIKey is BPLXGRMYZXZCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(2)4-6-14(15-3)7-5-13-8-10-16-11-9-13/h8-11,14-15H,1,4-7H2,2-3H3.
What are the key properties of N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine?
N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine is sourced from PubChem (CID 105182482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).