(Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine

C12H19N — CID 142246502

IUPAC(Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine
SMILESCC/C(=C/NC)C1=CCCCC=C1
InChIInChI=1S/C12H19N/c1-3-11(10-13-2)12-8-6-4-5-7-9-12/h6,8-10,13H,3-5,7H2,1-2H3/b11-10-
InChIKeyNXVZCPQWENRXLN-KHPPLWFESA-N
MW177.29 g/mol
LogP3.17
Rot. Bonds3

About (Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine

(Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine (PubChem CID 142246502) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine
PubChem CID142246502
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine
SMILESCC/C(=C/NC)C1=CCCCC=C1
InChIInChI=1S/C12H19N/c1-3-11(10-13-2)12-8-6-4-5-7-9-12/h6,8-10,13H,3-5,7H2,1-2H3/b11-10-
InChIKeyNXVZCPQWENRXLN-KHPPLWFESA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-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

Related Compounds

2-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
CID 145327169
N-methylcyclohepta-1,6-diene-1-carboxamide;molecular hydrogen
CID 143509672
(Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine
CID 143111173
methanol;2-(3-methylbuta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 164543952
cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene
CID 157067229
ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide
CID 142032761
2-methylcycloundeca-1,3,7-triene
CID 123392586
(5E)-4-bromo-2-ethylcyclonona-1,3,5-triene
CID 174091096
N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline
CID 143494911
di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene
CID 123584531
cyclohepta-1,6-dien-1-ylmethyl (2S)-2-aminopropanoate
CID 172578392

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine?
The IUPAC name of (Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine (CID 142246502) is (Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine is CC/C(=C/NC)C1=CCCCC=C1.
What is the InChIKey of (Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine?
The InChIKey is NXVZCPQWENRXLN-KHPPLWFESA-N. The full InChI is InChI=1S/C12H19N/c1-3-11(10-13-2)12-8-6-4-5-7-9-12/h6,8-10,13H,3-5,7H2,1-2H3/b11-10-.
What are the key properties of (Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine?
(Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyclohepta-1,6-dien-1-yl-N-methylbut-1-en-1-amine is sourced from PubChem (CID 142246502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).