(Z)-2-(butylamino)hex-1-en-1-ol

C10H21NO — CID 166783252

IUPAC(Z)-2-(butylamino)hex-1-en-1-ol
SMILESCCCCN/C(=C\O)CCCC
InChIInChI=1S/C10H21NO/c1-3-5-7-10(9-12)11-8-6-4-2/h9,11-12H,3-8H2,1-2H3/b10-9-
InChIKeyRMWNVUPRZIDDSY-KTKRTIGZSA-N
MW171.28 g/mol
LogP2.97
Rot. Bonds7

About (Z)-2-(butylamino)hex-1-en-1-ol

(Z)-2-(butylamino)hex-1-en-1-ol (PubChem CID 166783252) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (Z)-2-(butylamino)hex-1-en-1-ol.

Molecular Properties

Compound Name(Z)-2-(butylamino)hex-1-en-1-ol
PubChem CID166783252
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(Z)-2-(butylamino)hex-1-en-1-ol
SMILESCCCCN/C(=C\O)CCCC
InChIInChI=1S/C10H21NO/c1-3-5-7-10(9-12)11-8-6-4-2/h9,11-12H,3-8H2,1-2H3/b10-9-
InChIKeyRMWNVUPRZIDDSY-KTKRTIGZSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(butylamino)hex-1-en-1-ol?
The IUPAC name of (Z)-2-(butylamino)hex-1-en-1-ol (CID 166783252) is (Z)-2-(butylamino)hex-1-en-1-ol.
What is the SMILES notation for (Z)-2-(butylamino)hex-1-en-1-ol?
The canonical SMILES for (Z)-2-(butylamino)hex-1-en-1-ol is CCCCN/C(=C\O)CCCC.
What is the InChIKey of (Z)-2-(butylamino)hex-1-en-1-ol?
The InChIKey is RMWNVUPRZIDDSY-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-7-10(9-12)11-8-6-4-2/h9,11-12H,3-8H2,1-2H3/b10-9-.
What are the key properties of (Z)-2-(butylamino)hex-1-en-1-ol?
(Z)-2-(butylamino)hex-1-en-1-ol has a molecular weight of 171.28 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(butylamino)hex-1-en-1-ol is sourced from PubChem (CID 166783252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).