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

C13H28N2O — CID 107151355

IUPAC1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CCCC(N)C1
InChIInChI=1S/C13H28N2O/c1-13(2,3)8-12(16)9-15-11-6-4-5-10(14)7-11/h10-12,15-16H,4-9,14H2,1-3H3
InChIKeyBIBQEOWUDDCYOX-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.64
Rot. Bonds4

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

1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107151355) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107151355
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CCCC(N)C1
InChIInChI=1S/C13H28N2O/c1-13(2,3)8-12(16)9-15-11-6-4-5-10(14)7-11/h10-12,15-16H,4-9,14H2,1-3H3
InChIKeyBIBQEOWUDDCYOX-UHFFFAOYSA-N
XLogP1.64
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol
CID 107151493
3-[(3-aminocyclohexyl)amino]propane-1,2-diol
CID 79458034
1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
CID 103784422
tert-butyl N-[3-[(2-hydroxy-4,4-dimethylpentyl)amino]cyclohexyl]carbamate
CID 107151492
4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
CID 115721192
4,4-dimethyl-1-[(1-methylazepan-4-yl)amino]pentan-2-ol
CID 103859816
4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 91662929
3-[(3-aminocyclohexyl)amino]-2,2-dimethylpropanamide
CID 106274757
1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol
CID 103921424
5-[(3-aminocyclohexyl)amino]pentan-2-ol
CID 106121477
4,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]pentan-2-ol
CID 103784472
4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 115721189

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol (CID 107151355) is 1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNC1CCCC(N)C1.
What is the InChIKey of 1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is BIBQEOWUDDCYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)8-12(16)9-15-11-6-4-5-10(14)7-11/h10-12,15-16H,4-9,14H2,1-3H3.
What are the key properties of 1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol?
1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107151355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).