1-[1-(2-methylcyclobutyl)propylamino]ethanol

C10H21NO — CID 89249313

IUPAC1-[1-(2-methylcyclobutyl)propylamino]ethanol
SMILESCCC(NC(C)O)C1CCC1C
InChIInChI=1S/C10H21NO/c1-4-10(11-8(3)12)9-6-5-7(9)2/h7-12H,4-6H2,1-3H3
InChIKeyCCCWMZVDDSDQQI-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.74
Rot. Bonds4

About 1-[1-(2-methylcyclobutyl)propylamino]ethanol

1-[1-(2-methylcyclobutyl)propylamino]ethanol (PubChem CID 89249313) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[1-(2-methylcyclobutyl)propylamino]ethanol.

Molecular Properties

Compound Name1-[1-(2-methylcyclobutyl)propylamino]ethanol
PubChem CID89249313
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[1-(2-methylcyclobutyl)propylamino]ethanol
SMILESCCC(NC(C)O)C1CCC1C
InChIInChI=1S/C10H21NO/c1-4-10(11-8(3)12)9-6-5-7(9)2/h7-12H,4-6H2,1-3H3
InChIKeyCCCWMZVDDSDQQI-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
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-[1-(2-methylcyclopropyl)propylamino]butan-1-ol
CID 89249335
(1R)-N-ethyl-1-[(1S,2R)-2-methylcyclobutyl]ethanamine
CID 70296617
1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 79308579
(2S)-2-amino-1-(2-methylcyclobutyl)propan-1-ol
CID 68606405
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane
CID 123804533
3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
CID 58534554
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane
CID 91534762
1-(pentan-3-ylamino)ethanol
CID 18004281
5-ethyl-1-methyl-2-propan-2-ylcycloheptane
CID 123365042
N-(1-cyclopropylpropyl)hydroxylamine
CID 82686074

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylcyclobutyl)propylamino]ethanol?
The IUPAC name of 1-[1-(2-methylcyclobutyl)propylamino]ethanol (CID 89249313) is 1-[1-(2-methylcyclobutyl)propylamino]ethanol.
What is the SMILES notation for 1-[1-(2-methylcyclobutyl)propylamino]ethanol?
The canonical SMILES for 1-[1-(2-methylcyclobutyl)propylamino]ethanol is CCC(NC(C)O)C1CCC1C.
What is the InChIKey of 1-[1-(2-methylcyclobutyl)propylamino]ethanol?
The InChIKey is CCCWMZVDDSDQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(11-8(3)12)9-6-5-7(9)2/h7-12H,4-6H2,1-3H3.
What are the key properties of 1-[1-(2-methylcyclobutyl)propylamino]ethanol?
1-[1-(2-methylcyclobutyl)propylamino]ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylcyclobutyl)propylamino]ethanol is sourced from PubChem (CID 89249313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).