(Z)-N-ethenyl-4-methylhex-4-en-1-amine

C9H17N — CID 170086323

IUPAC(Z)-N-ethenyl-4-methylhex-4-en-1-amine
SMILESC=CNCCC/C(C)=C\C
InChIInChI=1S/C9H17N/c1-4-9(3)7-6-8-10-5-2/h4-5,10H,2,6-8H2,1,3H3/b9-4-
InChIKeyNXXLMMUIAKFCHR-WTKPLQERSA-N
MW139.24 g/mol
LogP2.47
Rot. Bonds5

About (Z)-N-ethenyl-4-methylhex-4-en-1-amine

(Z)-N-ethenyl-4-methylhex-4-en-1-amine (PubChem CID 170086323) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (Z)-N-ethenyl-4-methylhex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethenyl-4-methylhex-4-en-1-amine
PubChem CID170086323
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(Z)-N-ethenyl-4-methylhex-4-en-1-amine
SMILESC=CNCCC/C(C)=C\C
InChIInChI=1S/C9H17N/c1-4-9(3)7-6-8-10-5-2/h4-5,10H,2,6-8H2,1,3H3/b9-4-
InChIKeyNXXLMMUIAKFCHR-WTKPLQERSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.47
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'}

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Related Compounds

N-ethenylpentan-1-amine
CID 87131661
11-methyltrideca-1,11-diene
CID 139774754
N-ethenylpent-4-en-1-amine
CID 142515999
N-ethenyltetradecan-1-amine
CID 175788828
2-(4-methylhex-4-enylamino)propanedioic acid
CID 141143540
5-methylhepta-1,5-diene
CID 54049787
3-methylhept-2-ene
CID 91513604
(E)-4-methylhex-4-en-1-amine
CID 55285525
4-dimethylsilyl-N-ethenylbutan-1-amine
CID 154083369
(E)-3-methyltridec-2-ene
CID 22000795
ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772
(E)-3-methylnonadec-2-ene
CID 23160392

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-4-methylhex-4-en-1-amine?
The IUPAC name of (Z)-N-ethenyl-4-methylhex-4-en-1-amine (CID 170086323) is (Z)-N-ethenyl-4-methylhex-4-en-1-amine.
What is the SMILES notation for (Z)-N-ethenyl-4-methylhex-4-en-1-amine?
The canonical SMILES for (Z)-N-ethenyl-4-methylhex-4-en-1-amine is C=CNCCC/C(C)=C\C.
What is the InChIKey of (Z)-N-ethenyl-4-methylhex-4-en-1-amine?
The InChIKey is NXXLMMUIAKFCHR-WTKPLQERSA-N. The full InChI is InChI=1S/C9H17N/c1-4-9(3)7-6-8-10-5-2/h4-5,10H,2,6-8H2,1,3H3/b9-4-.
What are the key properties of (Z)-N-ethenyl-4-methylhex-4-en-1-amine?
(Z)-N-ethenyl-4-methylhex-4-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-4-methylhex-4-en-1-amine is sourced from PubChem (CID 170086323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).