1-[methyl(propyl)amino]propan-1-ol

C7H17NO — CID 118973060

IUPAC1-[methyl(propyl)amino]propan-1-ol
SMILESCCCN(C)C(O)CC
InChIInChI=1S/C7H17NO/c1-4-6-8(3)7(9)5-2/h7,9H,4-6H2,1-3H3
InChIKeyDNEQNKXIIPFMTE-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.06
Rot. Bonds4

About 1-[methyl(propyl)amino]propan-1-ol

1-[methyl(propyl)amino]propan-1-ol (PubChem CID 118973060) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-[methyl(propyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-[methyl(propyl)amino]propan-1-ol
PubChem CID118973060
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-[methyl(propyl)amino]propan-1-ol
SMILESCCCN(C)C(O)CC
InChIInChI=1S/C7H17NO/c1-4-6-8(3)7(9)5-2/h7,9H,4-6H2,1-3H3
InChIKeyDNEQNKXIIPFMTE-UHFFFAOYSA-N
XLogP1.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl(pentyl)amino]propan-1-ol
CID 87216398
1-[decyl(methyl)amino]propan-1-ol;hydrochloride
CID 175358956
(1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen
CID 144534942
2-[methyl(propyl)amino]butanamide
CID 62900463
(3S)-3-[methyl(propyl)amino]butan-2-one
CID 93295226
1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride
CID 173390192
3-[methyl(propyl)amino]hexan-1-ol
CID 91433041
ethane;(3S)-3-[methyl(propyl)amino]butan-2-one
CID 166155780
1-[butan-2-yl(methyl)amino]butan-1-ol
CID 88539687
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
1-(dibutylamino)butan-1-ol
CID 19802147
1-[di(nonadecyl)amino]propan-1-ol
CID 87359207

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propyl)amino]propan-1-ol?
The IUPAC name of 1-[methyl(propyl)amino]propan-1-ol (CID 118973060) is 1-[methyl(propyl)amino]propan-1-ol.
What is the SMILES notation for 1-[methyl(propyl)amino]propan-1-ol?
The canonical SMILES for 1-[methyl(propyl)amino]propan-1-ol is CCCN(C)C(O)CC.
What is the InChIKey of 1-[methyl(propyl)amino]propan-1-ol?
The InChIKey is DNEQNKXIIPFMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-6-8(3)7(9)5-2/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-[methyl(propyl)amino]propan-1-ol?
1-[methyl(propyl)amino]propan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propyl)amino]propan-1-ol is sourced from PubChem (CID 118973060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).