[1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol

C12H26N2O — CID 79657029

IUPAC[1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol
SMILESCCC(CC)N(C)C1CCC(N)(CO)C1
InChIInChI=1S/C12H26N2O/c1-4-10(5-2)14(3)11-6-7-12(13,8-11)9-15/h10-11,15H,4-9,13H2,1-3H3
InChIKeyXLSXPGSDTNEHSK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.35
Rot. Bonds5

About [1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol

[1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol (PubChem CID 79657029) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol
PubChem CID79657029
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol
SMILESCCC(CC)N(C)C1CCC(N)(CO)C1
InChIInChI=1S/C12H26N2O/c1-4-10(5-2)14(3)11-6-7-12(13,8-11)9-15/h10-11,15H,4-9,13H2,1-3H3
InChIKeyXLSXPGSDTNEHSK-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
CID 79640938
[1-amino-3-[methyl(4-methylpentan-2-yl)amino]cyclopentyl]methanol
CID 79656226
[1-amino-3-(diethylamino)cyclopentyl]methanol
CID 79656193
[1-amino-3-[ethyl(2-methylbutyl)amino]cyclopentyl]methanol
CID 79645998
[1-amino-3-[cyclopentyl(methyl)amino]cyclopentyl]methanol
CID 79656037
[1-amino-3-(dibutylamino)cyclopentyl]methanol
CID 79656278
[1-amino-3-[propan-2-yl(propyl)amino]cyclopentyl]methanol
CID 79656528
[1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol
CID 79640962
1-(methylamino)-3-[methyl(pentan-3-yl)amino]cyclopentane-1-carboxylic acid
CID 79654676
[1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79657036
[1-amino-3-[methyl(oxolan-3-yl)amino]cyclopentyl]methanol
CID 82745481
[1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
CID 79641023

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol?
The IUPAC name of [1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol (CID 79657029) is [1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol is CCC(CC)N(C)C1CCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol?
The InChIKey is XLSXPGSDTNEHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-10(5-2)14(3)11-6-7-12(13,8-11)9-15/h10-11,15H,4-9,13H2,1-3H3.
What are the key properties of [1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol?
[1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol has a molecular weight of 214.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 79657029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).