1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol

C13H30N2O — CID 142062163

IUPAC1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCCCCCCN
InChIInChI=1S/C13H30N2O/c1-13(2,3)10-12(16)11-15-9-7-5-4-6-8-14/h12,15-16H,4-11,14H2,1-3H3
InChIKeyCSZANQKGSKDFST-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.89
Rot. Bonds9

About 1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol

1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol (PubChem CID 142062163) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol
PubChem CID142062163
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCCCCCCN
InChIInChI=1S/C13H30N2O/c1-13(2,3)10-12(16)11-15-9-7-5-4-6-8-14/h12,15-16H,4-11,14H2,1-3H3
InChIKeyCSZANQKGSKDFST-UHFFFAOYSA-N
XLogP1.89
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.89
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

5,5-Dimethylpiperidin-3-ol hydrochloride
CID 115013109
1-(Tert-butylamino)-4-methylpentan-2-ol
CID 534387
4,4-Dimethyl-1-(methylamino)pentan-3-ol
CID 83635351
4-Methyl-1-(methylamino)pentan-2-ol
CID 15892886
1-(2-Hydroxyethylamino)-3,3-dimethylbutan-2-ol
CID 54004029
1-(Cyclohexylamino)-3,3-dimethylbutan-2-ol
CID 12263165
1-(5-Methylhexylamino)propan-2-ol
CID 115325577
5-Di-t-butyl-3-piperidol
CID 129810154
1-(1,1-Difluoropropan-2-ylamino)-4,4-dimethylpentan-2-ol
CID 107151450
1-(3-Fluoropropylamino)-4,4-dimethylpentan-2-ol
CID 107151915
4,4-Dimethyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 107151921
4,4-Dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol
CID 107151967

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol (CID 142062163) is 1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNCCCCCCN.
What is the InChIKey of 1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol?
The InChIKey is CSZANQKGSKDFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-13(2,3)10-12(16)11-15-9-7-5-4-6-8-14/h12,15-16H,4-11,14H2,1-3H3.
What are the key properties of 1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol?
1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol has a molecular weight of 230.40 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminohexylamino)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 142062163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).