(Z)-N,2-di(propan-2-yl)hept-2-en-1-amine

C13H27N — CID 139548782

IUPAC(Z)-N,2-di(propan-2-yl)hept-2-en-1-amine
SMILESCCCC/C=C(\CNC(C)C)C(C)C
InChIInChI=1S/C13H27N/c1-6-7-8-9-13(11(2)3)10-14-12(4)5/h9,11-12,14H,6-8,10H2,1-5H3/b13-9+
InChIKeyMWICPIHESVGROR-UKTHLTGXSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds7

About (Z)-N,2-di(propan-2-yl)hept-2-en-1-amine

(Z)-N,2-di(propan-2-yl)hept-2-en-1-amine (PubChem CID 139548782) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (Z)-N,2-di(propan-2-yl)hept-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N,2-di(propan-2-yl)hept-2-en-1-amine
PubChem CID139548782
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(Z)-N,2-di(propan-2-yl)hept-2-en-1-amine
SMILESCCCC/C=C(\CNC(C)C)C(C)C
InChIInChI=1S/C13H27N/c1-6-7-8-9-13(11(2)3)10-14-12(4)5/h9,11-12,14H,6-8,10H2,1-5H3/b13-9+
InChIKeyMWICPIHESVGROR-UKTHLTGXSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N,2-di(propan-2-yl)hept-2-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

2,4,5-trimethyldec-5-ene
CID 123184332
3-propyldodec-3-en-2-ol
CID 71375191
N-propan-2-yldodec-3-en-1-amine
CID 79592983
3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 115278136
lithium hept-2-en-2-olate
CID 134859584
2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene
CID 54471611
(2Z)-4-N-phosphanyl-1-N,2-di(propan-2-yl)penta-2,4-diene-1,4-diamine
CID 155021868
7,8-dimethyltridec-6-ene
CID 123214902
2,3,4-trimethyldec-4-ene
CID 123648620
(E)-4-methoxydec-4-ene
CID 134864544
N-propan-2-ylbutan-1-amine chloride
CID 19629099
ethane;N-ethylpropan-2-amine;pentane
CID 155579970

Frequently Asked Questions

What is the IUPAC name of (Z)-N,2-di(propan-2-yl)hept-2-en-1-amine?
The IUPAC name of (Z)-N,2-di(propan-2-yl)hept-2-en-1-amine (CID 139548782) is (Z)-N,2-di(propan-2-yl)hept-2-en-1-amine.
What is the SMILES notation for (Z)-N,2-di(propan-2-yl)hept-2-en-1-amine?
The canonical SMILES for (Z)-N,2-di(propan-2-yl)hept-2-en-1-amine is CCCC/C=C(\CNC(C)C)C(C)C.
What is the InChIKey of (Z)-N,2-di(propan-2-yl)hept-2-en-1-amine?
The InChIKey is MWICPIHESVGROR-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H27N/c1-6-7-8-9-13(11(2)3)10-14-12(4)5/h9,11-12,14H,6-8,10H2,1-5H3/b13-9+.
What are the key properties of (Z)-N,2-di(propan-2-yl)hept-2-en-1-amine?
(Z)-N,2-di(propan-2-yl)hept-2-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-di(propan-2-yl)hept-2-en-1-amine is sourced from PubChem (CID 139548782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).