3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol

C10H21NO — CID 106174988

IUPAC3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol
SMILESC/C=C/CNC(C)(CC)CCO
InChIInChI=1S/C10H21NO/c1-4-6-8-11-10(3,5-2)7-9-12/h4,6,11-12H,5,7-9H2,1-3H3/b6-4+
InChIKeyWHCIUAQTEWDRJR-GQCTYLIASA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds6

About 3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol

3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol (PubChem CID 106174988) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol
PubChem CID106174988
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol
SMILESC/C=C/CNC(C)(CC)CCO
InChIInChI=1S/C10H21NO/c1-4-6-8-11-10(3,5-2)7-9-12/h4,6,11-12H,5,7-9H2,1-3H3/b6-4+
InChIKeyWHCIUAQTEWDRJR-GQCTYLIASA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol (CID 106174988) is 3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol is C/C=C/CNC(C)(CC)CCO.
What is the InChIKey of 3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol?
The InChIKey is WHCIUAQTEWDRJR-GQCTYLIASA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-8-11-10(3,5-2)7-9-12/h4,6,11-12H,5,7-9H2,1-3H3/b6-4+.
What are the key properties of 3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol?
3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106174988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).