1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol

C12H26N2O — CID 107151493

IUPAC1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CCC(N)C1
InChIInChI=1S/C12H26N2O/c1-12(2,3)7-11(15)8-14-10-5-4-9(13)6-10/h9-11,14-15H,4-8,13H2,1-3H3
InChIKeyTVLUHDQDIXREOM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.25
Rot. Bonds4

About 1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol

1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107151493) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107151493
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CCC(N)C1
InChIInChI=1S/C12H26N2O/c1-12(2,3)7-11(15)8-14-10-5-4-9(13)6-10/h9-11,14-15H,4-8,13H2,1-3H3
InChIKeyTVLUHDQDIXREOM-UHFFFAOYSA-N
XLogP1.25
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol
CID 107151355
1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
CID 103784422
4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 91662929
3-[(3-aminocyclohexyl)amino]propane-1,2-diol
CID 79458034
1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol
CID 103921424
4,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]pentan-2-ol
CID 103784472
1-(cyclopropylamino)-4-methoxy-4-methylpentan-2-ol
CID 106676447
4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
CID 115721192
tert-butyl N-[3-[(2-hydroxy-4,4-dimethylpentyl)amino]cyclohexyl]carbamate
CID 107151492
tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate
CID 107248841
4,4-dimethyl-1-[(1-methylazepan-4-yl)amino]pentan-2-ol
CID 103859816
3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol
CID 106114664

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol (CID 107151493) is 1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNC1CCC(N)C1.
What is the InChIKey of 1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is TVLUHDQDIXREOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)7-11(15)8-14-10-5-4-9(13)6-10/h9-11,14-15H,4-8,13H2,1-3H3.
What are the key properties of 1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol?
1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107151493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).