2-(methylamino)pent-4-en-1-ol;hydrochloride

C6H14ClNO — CID 87078532

IUPAC2-(methylamino)pent-4-en-1-ol;hydrochloride
SMILESC=CCC(CO)NC.Cl
InChIInChI=1S/C6H13NO.ClH/c1-3-4-6(5-8)7-2;/h3,6-8H,1,4-5H2,2H3;1H
InChIKeyBCBCCYKIPPMWKV-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.56
Rot. Bonds4

About 2-(methylamino)pent-4-en-1-ol;hydrochloride

2-(methylamino)pent-4-en-1-ol;hydrochloride (PubChem CID 87078532) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 2-(methylamino)pent-4-en-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)pent-4-en-1-ol;hydrochloride
PubChem CID87078532
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name2-(methylamino)pent-4-en-1-ol;hydrochloride
SMILESC=CCC(CO)NC.Cl
InChIInChI=1S/C6H13NO.ClH/c1-3-4-6(5-8)7-2;/h3,6-8H,1,4-5H2,2H3;1H
InChIKeyBCBCCYKIPPMWKV-UHFFFAOYSA-N
XLogP0.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.56
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 2-(methylamino)pent-4-en-1-ol;hydrochloride?
The IUPAC name of 2-(methylamino)pent-4-en-1-ol;hydrochloride (CID 87078532) is 2-(methylamino)pent-4-en-1-ol;hydrochloride.
What is the SMILES notation for 2-(methylamino)pent-4-en-1-ol;hydrochloride?
The canonical SMILES for 2-(methylamino)pent-4-en-1-ol;hydrochloride is C=CCC(CO)NC.Cl.
What is the InChIKey of 2-(methylamino)pent-4-en-1-ol;hydrochloride?
The InChIKey is BCBCCYKIPPMWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-3-4-6(5-8)7-2;/h3,6-8H,1,4-5H2,2H3;1H.
What are the key properties of 2-(methylamino)pent-4-en-1-ol;hydrochloride?
2-(methylamino)pent-4-en-1-ol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)pent-4-en-1-ol;hydrochloride is sourced from PubChem (CID 87078532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).