heptan-4-imine;2-methylprop-1-ene

C11H23N — CID 175527412

IUPACheptan-4-imine;2-methylprop-1-ene
SMILESC=C(C)C.[H]N=C(CCC)CCC
InChIInChI=1S/C7H15N.C4H8/c1-3-5-7(8)6-4-2;1-4(2)3/h8H,3-6H2,1-2H3;1H2,2-3H3
InChIKeyWZNKYJCUKPHSGA-UHFFFAOYSA-N
MW169.31 g/mol
LogP4.19
Rot. Bonds4

About heptan-4-imine;2-methylprop-1-ene

heptan-4-imine;2-methylprop-1-ene (PubChem CID 175527412) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is heptan-4-imine;2-methylprop-1-ene.

Molecular Properties

Compound Nameheptan-4-imine;2-methylprop-1-ene
PubChem CID175527412
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameheptan-4-imine;2-methylprop-1-ene
SMILESC=C(C)C.[H]N=C(CCC)CCC
InChIInChI=1S/C7H15N.C4H8/c1-3-5-7(8)6-4-2;1-4(2)3/h8H,3-6H2,1-2H3;1H2,2-3H3
InChIKeyWZNKYJCUKPHSGA-UHFFFAOYSA-N
XLogP4.19
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze heptan-4-imine;2-methylprop-1-ene 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

butane;ethane;2-methylprop-1-ene
CID 142168819
methane;hexakis(2-methylpent-1-ene)
CID 175346690
bis(2-methylprop-1-ene);propane
CID 159493997
4,5-dimethylideneoctane
CID 13294231
sodium;hydride;2-methylpent-1-ene
CID 174251970
4,7-dimethylidenedecane
CID 543440
2-methyl-4-methylidenehept-1-ene
CID 58948030
hexan-3-imine
CID 44512023
(E)-4,5-dimethyloct-4-ene
CID 12714364
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973

Frequently Asked Questions

What is the IUPAC name of heptan-4-imine;2-methylprop-1-ene?
The IUPAC name of heptan-4-imine;2-methylprop-1-ene (CID 175527412) is heptan-4-imine;2-methylprop-1-ene.
What is the SMILES notation for heptan-4-imine;2-methylprop-1-ene?
The canonical SMILES for heptan-4-imine;2-methylprop-1-ene is C=C(C)C.[H]N=C(CCC)CCC.
What is the InChIKey of heptan-4-imine;2-methylprop-1-ene?
The InChIKey is WZNKYJCUKPHSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C4H8/c1-3-5-7(8)6-4-2;1-4(2)3/h8H,3-6H2,1-2H3;1H2,2-3H3.
What are the key properties of heptan-4-imine;2-methylprop-1-ene?
heptan-4-imine;2-methylprop-1-ene has a molecular weight of 169.31 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-4-imine;2-methylprop-1-ene is sourced from PubChem (CID 175527412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).