5-[(3-aminocyclohexyl)amino]pentan-2-ol

C11H24N2O — CID 106121477

IUPAC5-[(3-aminocyclohexyl)amino]pentan-2-ol
SMILESCC(O)CCCNC1CCCC(N)C1
InChIInChI=1S/C11H24N2O/c1-9(14)4-3-7-13-11-6-2-5-10(12)8-11/h9-11,13-14H,2-8,12H2,1H3
InChIKeyCHNCINJCUVGBMF-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.01
Rot. Bonds5

About 5-[(3-aminocyclohexyl)amino]pentan-2-ol

5-[(3-aminocyclohexyl)amino]pentan-2-ol (PubChem CID 106121477) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 5-[(3-aminocyclohexyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(3-aminocyclohexyl)amino]pentan-2-ol
PubChem CID106121477
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name5-[(3-aminocyclohexyl)amino]pentan-2-ol
SMILESCC(O)CCCNC1CCCC(N)C1
InChIInChI=1S/C11H24N2O/c1-9(14)4-3-7-13-11-6-2-5-10(12)8-11/h9-11,13-14H,2-8,12H2,1H3
InChIKeyCHNCINJCUVGBMF-UHFFFAOYSA-N
XLogP1.01
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-Propyl-4-piperidinyl)amino]cyclohexanol
CID 3851137
4-Cyclohexylamino-butan-1-ol
CID 3144576
4-(2-Methylpropylamino)cyclohexan-1-ol
CID 8024862
4-[(1-Ethyl-4-piperidinyl)amino]cyclohexanol
CID 6456384
1-(Cyclohexylamino)pentan-2-ol
CID 67858729
1-{3-[(1-Ethylpropyl)amino]propyl}piperidin-3-ol
CID 50950428
3-(Cyclohexylamino)butan-1-ol
CID 10035046
(2R,4R)-4-(cyclohexylamino)pentan-2-ol
CID 10375161
(2R,4S)-4-(cyclohexylamino)pentan-2-ol
CID 11819753
1-(Cyclohexylamino)butan-2-ol
CID 419885
4-(Propylamino)cyclohexan-1-ol
CID 13670659
4-[(Propan-2-yl)amino]cyclohexan-1-ol
CID 15572885

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminocyclohexyl)amino]pentan-2-ol?
The IUPAC name of 5-[(3-aminocyclohexyl)amino]pentan-2-ol (CID 106121477) is 5-[(3-aminocyclohexyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(3-aminocyclohexyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(3-aminocyclohexyl)amino]pentan-2-ol is CC(O)CCCNC1CCCC(N)C1.
What is the InChIKey of 5-[(3-aminocyclohexyl)amino]pentan-2-ol?
The InChIKey is CHNCINJCUVGBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(14)4-3-7-13-11-6-2-5-10(12)8-11/h9-11,13-14H,2-8,12H2,1H3.
What are the key properties of 5-[(3-aminocyclohexyl)amino]pentan-2-ol?
5-[(3-aminocyclohexyl)amino]pentan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminocyclohexyl)amino]pentan-2-ol is sourced from PubChem (CID 106121477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).