1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol

C10H21NO — CID 155323712

IUPAC1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol
SMILESC/C=C\CCCNC(O)C(C)C
InChIInChI=1S/C10H21NO/c1-4-5-6-7-8-11-10(12)9(2)3/h4-5,9-12H,6-8H2,1-3H3/b5-4-
InChIKeyISUNLJCJRIDLHI-PLNGDYQASA-N
MW171.28 g/mol
LogP1.91
Rot. Bonds6

About 1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol

1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol (PubChem CID 155323712) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol
PubChem CID155323712
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol
SMILESC/C=C\CCCNC(O)C(C)C
InChIInChI=1S/C10H21NO/c1-4-5-6-7-8-11-10(12)9(2)3/h4-5,9-12H,6-8H2,1-3H3/b5-4-
InChIKeyISUNLJCJRIDLHI-PLNGDYQASA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol 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 1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol (CID 155323712) is 1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol is C/C=C\CCCNC(O)C(C)C.
What is the InChIKey of 1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol?
The InChIKey is ISUNLJCJRIDLHI-PLNGDYQASA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-7-8-11-10(12)9(2)3/h4-5,9-12H,6-8H2,1-3H3/b5-4-.
What are the key properties of 1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol?
1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-hex-4-enyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 155323712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).