3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol

C10H21NO — CID 79865194

IUPAC3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol
SMILESCC1(C)CCCC1NCCCO
InChIInChI=1S/C10H21NO/c1-10(2)6-3-5-9(10)11-7-4-8-12/h9,11-12H,3-8H2,1-2H3
InChIKeyMGVNTQVGOPFLPA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds4

About 3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol

3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol (PubChem CID 79865194) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol
PubChem CID79865194
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol
SMILESCC1(C)CCCC1NCCCO
InChIInChI=1S/C10H21NO/c1-10(2)6-3-5-9(10)11-7-4-8-12/h9,11-12H,3-8H2,1-2H3
InChIKeyMGVNTQVGOPFLPA-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylcyclohexyl)-N',N'-dimethylpropane-1,3-diamine
CID 79828762
N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine
CID 115704494
4-[(2,2-dimethylcyclopentyl)amino]butan-2-one
CID 145476658
N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine
CID 79828517
[(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol
CID 97231893
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 79834348
2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 79864655
4-[(2,2-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 79856763
N-ethyl-2,2-dimethylcyclopentan-1-amine;hydrochloride
CID 154577104
1-[[(2,2-dimethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 79856985
2-[(2,2-dimethylcyclopentyl)amino]acetic acid
CID 79865200

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol?
The IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol (CID 79865194) is 3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol?
The canonical SMILES for 3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol is CC1(C)CCCC1NCCCO.
What is the InChIKey of 3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol?
The InChIKey is MGVNTQVGOPFLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2)6-3-5-9(10)11-7-4-8-12/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol?
3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol is sourced from PubChem (CID 79865194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).