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

C6H14ClNO — CID 173080856

IUPAC4-(methylamino)pent-1-en-1-ol;hydrochloride
SMILESCNC(C)CC=CO.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(7-2)4-3-5-8;/h3,5-8H,4H2,1-2H3;1H
InChIKeyXNRRNKDZNLQOSL-UHFFFAOYSA-N
MW151.64 g/mol
LogP1.48
Rot. Bonds3

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

4-(methylamino)pent-1-en-1-ol;hydrochloride (PubChem CID 173080856) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 4-(methylamino)pent-1-en-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)pent-1-en-1-ol;hydrochloride
PubChem CID173080856
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name4-(methylamino)pent-1-en-1-ol;hydrochloride
SMILESCNC(C)CC=CO.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(7-2)4-3-5-8;/h3,5-8H,4H2,1-2H3;1H
InChIKeyXNRRNKDZNLQOSL-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylhept-4-en-2-amine
CID 123748755
(E)-4-methylpent-1-en-1-ol
CID 22598252
(2S)-2-(methylamino)propan-1-ol;hydrochloride
CID 46942002
2-(methylamino)propan-1-ol;hydrochloride
CID 75245213
5-(methylamino)hex-1-en-3-ol
CID 143813054
dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium
CID 174793642
(4Z,6Z,9Z,11Z)-N-methyl-8-methylidenetetradeca-4,6,9,11,13-pentaen-2-amine
CID 146492350
(E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine
CID 10329870
5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol
CID 89322861
methane;2-(methylamino)propan-1-ol
CID 158331207
(2S)-1-chloro-N-methylpropan-2-amine;hydrochloride
CID 13134796
(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide
CID 129302968

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)pent-1-en-1-ol;hydrochloride?
The IUPAC name of 4-(methylamino)pent-1-en-1-ol;hydrochloride (CID 173080856) is 4-(methylamino)pent-1-en-1-ol;hydrochloride.
What is the SMILES notation for 4-(methylamino)pent-1-en-1-ol;hydrochloride?
The canonical SMILES for 4-(methylamino)pent-1-en-1-ol;hydrochloride is CNC(C)CC=CO.Cl.
What is the InChIKey of 4-(methylamino)pent-1-en-1-ol;hydrochloride?
The InChIKey is XNRRNKDZNLQOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-6(7-2)4-3-5-8;/h3,5-8H,4H2,1-2H3;1H.
What are the key properties of 4-(methylamino)pent-1-en-1-ol;hydrochloride?
4-(methylamino)pent-1-en-1-ol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)pent-1-en-1-ol;hydrochloride is sourced from PubChem (CID 173080856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).