1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol

C12H28N2O — CID 3023051

IUPAC1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol
SMILESCC(O)CNC(C)(C)C(C)CCCCN
InChIInChI=1S/C12H28N2O/c1-10(7-5-6-8-13)12(3,4)14-9-11(2)15/h10-11,14-15H,5-9,13H2,1-4H3
InChIKeyVUPRLSYOWHGDBC-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.50
Rot. Bonds8

About 1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol

1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol (PubChem CID 3023051) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol
PubChem CID3023051
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol
SMILESCC(O)CNC(C)(C)C(C)CCCCN
InChIInChI=1S/C12H28N2O/c1-10(7-5-6-8-13)12(3,4)14-9-11(2)15/h10-11,14-15H,5-9,13H2,1-4H3
InChIKeyVUPRLSYOWHGDBC-UHFFFAOYSA-N
XLogP1.50
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.50
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

2-[(2-Ethylhexyl)amino]ethanol
CID 276971
Pentan-2-ol, 1-tert-buthylamino-4-methyl-
CID 534387
1,3-Bis(2-ethylhexylamino)propan-2-ol
CID 302569
1-(3-Methyl-cyclohexylamino)-propan-2-ol
CID 3151936
2-(4-Propylheptan-4-ylamino)ethanol
CID 3049085
1-(5-Methylhexylamino)propan-2-ol
CID 115325577
2-((3-Aminopropyl)butylamino)ethanol
CID 56137
2-((6-Aminotrimethylhexyl)amino)ethanol
CID 3023050
1-{[5-(Aminomethyl)-3-methylheptyl]amino}-3-{[4-(aminomethyl)-2-methylhexyl]amino}propan-2-ol
CID 60196340
1-Fluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol
CID 165602367
1-(2,8-Dimethylnonan-5-ylamino)propan-2-ol
CID 277025
1-[(4-Methylcyclohexyl)amino]propan-2-ol
CID 277603

Frequently Asked Questions

What is the IUPAC name of 1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol (CID 3023051) is 1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol is CC(O)CNC(C)(C)C(C)CCCCN.
What is the InChIKey of 1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol?
The InChIKey is VUPRLSYOWHGDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(7-5-6-8-13)12(3,4)14-9-11(2)15/h10-11,14-15H,5-9,13H2,1-4H3.
What are the key properties of 1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol?
1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol has a molecular weight of 216.37 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-amino-2,3-dimethylheptan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 3023051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).