6-[(3-aminocyclohexyl)amino]hexan-1-ol

C12H26N2O — CID 107848750

IUPAC6-[(3-aminocyclohexyl)amino]hexan-1-ol
SMILESNC1CCCC(NCCCCCCO)C1
InChIInChI=1S/C12H26N2O/c13-11-6-5-7-12(10-11)14-8-3-1-2-4-9-15/h11-12,14-15H,1-10,13H2
InChIKeyIFVGYEMDKKCWEM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.40
Rot. Bonds7

About 6-[(3-aminocyclohexyl)amino]hexan-1-ol

6-[(3-aminocyclohexyl)amino]hexan-1-ol (PubChem CID 107848750) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 6-[(3-aminocyclohexyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3-aminocyclohexyl)amino]hexan-1-ol
PubChem CID107848750
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name6-[(3-aminocyclohexyl)amino]hexan-1-ol
SMILESNC1CCCC(NCCCCCCO)C1
InChIInChI=1S/C12H26N2O/c13-11-6-5-7-12(10-11)14-8-3-1-2-4-9-15/h11-12,14-15H,1-10,13H2
InChIKeyIFVGYEMDKKCWEM-UHFFFAOYSA-N
XLogP1.40
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.40
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

5-[(3-aminocyclohexyl)amino]pentan-1-ol
CID 107316668
2-[(3-aminocyclohexyl)amino]ethanol
CID 79459217
5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 107302816
5-[(3-aminocyclohexyl)amino]pentan-2-ol
CID 106121477
1-N-pent-4-ynylcyclohexane-1,3-diamine
CID 106220280
1-N-(3-methoxypropyl)cyclohexane-1,3-diamine
CID 79458917
1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine
CID 79459469
1-N-(3-cyclohexyloxypropyl)cyclohexane-1,3-diamine
CID 79458447
7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine
CID 67380437
1-N-propylcyclohexane-1,3-diamine
CID 22026573
1-N-(4-propan-2-yloxybutyl)cyclohexane-1,3-diamine
CID 106007565
5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol
CID 64741111

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminocyclohexyl)amino]hexan-1-ol?
The IUPAC name of 6-[(3-aminocyclohexyl)amino]hexan-1-ol (CID 107848750) is 6-[(3-aminocyclohexyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(3-aminocyclohexyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(3-aminocyclohexyl)amino]hexan-1-ol is NC1CCCC(NCCCCCCO)C1.
What is the InChIKey of 6-[(3-aminocyclohexyl)amino]hexan-1-ol?
The InChIKey is IFVGYEMDKKCWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c13-11-6-5-7-12(10-11)14-8-3-1-2-4-9-15/h11-12,14-15H,1-10,13H2.
What are the key properties of 6-[(3-aminocyclohexyl)amino]hexan-1-ol?
6-[(3-aminocyclohexyl)amino]hexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminocyclohexyl)amino]hexan-1-ol is sourced from PubChem (CID 107848750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).