(Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine

C14H28N2 — CID 135211995

IUPAC(Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine
SMILESC=N/C=C\CCC(CCNC)CC(C)(C)C
InChIInChI=1S/C14H28N2/c1-14(2,3)12-13(9-11-16-5)8-6-7-10-15-4/h7,10,13,16H,4,6,8-9,11-12H2,1-3,5H3/b10-7-
InChIKeyULDZVRGVMWCURC-YFHOEESVSA-N
MW224.39 g/mol
LogP3.64
Rot. Bonds8

About (Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine

(Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine (PubChem CID 135211995) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine
PubChem CID135211995
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine
SMILESC=N/C=C\CCC(CCNC)CC(C)(C)C
InChIInChI=1S/C14H28N2/c1-14(2,3)12-13(9-11-16-5)8-6-7-10-15-4/h7,10,13,16H,4,6,8-9,11-12H2,1-3,5H3/b10-7-
InChIKeyULDZVRGVMWCURC-YFHOEESVSA-N
XLogP3.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine?
The IUPAC name of (Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine (CID 135211995) is (Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine.
What is the SMILES notation for (Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine?
The canonical SMILES for (Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine is C=N/C=C\CCC(CCNC)CC(C)(C)C.
What is the InChIKey of (Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine?
The InChIKey is ULDZVRGVMWCURC-YFHOEESVSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2,3)12-13(9-11-16-5)8-6-7-10-15-4/h7,10,13,16H,4,6,8-9,11-12H2,1-3,5H3/b10-7-.
What are the key properties of (Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine?
(Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine has a molecular weight of 224.39 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,2-dimethylpropyl)-N-methyl-7-(methylideneamino)hept-6-en-1-amine is sourced from PubChem (CID 135211995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).