N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine

C14H22N2 — CID 163933497

IUPACN-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine
SMILESCC/C=C\C(C)=C(/C)C1=C(NC)NCC=C1
InChIInChI=1S/C14H22N2/c1-5-6-8-11(2)12(3)13-9-7-10-16-14(13)15-4/h6-9,15-16H,5,10H2,1-4H3/b8-6-,12-11+
InChIKeyRKSPHEUQPHLYBE-JKJKEFMNSA-N
MW218.34 g/mol
LogP2.88
Rot. Bonds4

About N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine

N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine (PubChem CID 163933497) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine
PubChem CID163933497
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine
SMILESCC/C=C\C(C)=C(/C)C1=C(NC)NCC=C1
InChIInChI=1S/C14H22N2/c1-5-6-8-11(2)12(3)13-9-7-10-16-14(13)15-4/h6-9,15-16H,5,10H2,1-4H3/b8-6-,12-11+
InChIKeyRKSPHEUQPHLYBE-JKJKEFMNSA-N
XLogP2.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-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

N-[(4-fluoro-5-methyl-2H-pyridin-1-yl)methyl]ethanamine
CID 137532740
N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine
CID 163595306
1-N'-[(2Z,4Z)-4,5-difluoro-6-methylhepta-2,4,6-trienyl]-1-N-methylethane-1,1-diamine
CID 166888907
2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine
CID 169149259
1-N'-[(E)-6-fluoro-4-methylidene-2-[(Z)-prop-1-enyl]hept-2-enyl]-1-N-methylethene-1,1-diamine
CID 169901309
6.6-Dimethylamino-5-aza-azulen
CID 129635031
3-ethenyl-N,N-dimethyl-2H-isoquinolin-3-amine
CID 21541906
5-(Aminomethyl)-6-methyl-1,2-dihydropyridin-2-amine
CID 53779356
2,3,4,5-tetrahydro-1H-cyclohepta[d]pyrimidine
CID 67948823
2,3,4,5-tetrahydro-1H-cyclohepta[d]pyrimidin-2-amine
CID 68654110
1,4-bis(prop-2-enyl)-2H-pyridin-2-amine
CID 70447618
5-Methyl-1,2-dihydropyridin-2-amine
CID 86340234

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine?
The IUPAC name of N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine (CID 163933497) is N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine.
What is the SMILES notation for N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine?
The canonical SMILES for N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine is CC/C=C\C(C)=C(/C)C1=C(NC)NCC=C1.
What is the InChIKey of N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine?
The InChIKey is RKSPHEUQPHLYBE-JKJKEFMNSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-6-8-11(2)12(3)13-9-7-10-16-14(13)15-4/h6-9,15-16H,5,10H2,1-4H3/b8-6-,12-11+.
What are the key properties of N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine?
N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine has a molecular weight of 218.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 163933497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).