3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol

C12H28N2O — CID 65247313

IUPAC3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)CCC(C)(C)CN
InChIInChI=1S/C12H28N2O/c1-11(2)14(7-5-9-15)8-6-12(3,4)10-13/h11,15H,5-10,13H2,1-4H3
InChIKeyPNTRVUMSIRTWFN-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.45
Rot. Bonds8

About 3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol

3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol (PubChem CID 65247313) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol
PubChem CID65247313
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)CCC(C)(C)CN
InChIInChI=1S/C12H28N2O/c1-11(2)14(7-5-9-15)8-6-12(3,4)10-13/h11,15H,5-10,13H2,1-4H3
InChIKeyPNTRVUMSIRTWFN-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylbutanethioamide
CID 65248852
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol
CID 62623197
2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide
CID 106708016
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 65254258
2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol
CID 106708019
3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol
CID 166090876
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
CID 104551463
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
CID 175071947
3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
CID 62015613
3-[2-(3-methylbutoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62015016

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol (CID 65247313) is 3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)CCC(C)(C)CN.
What is the InChIKey of 3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol?
The InChIKey is PNTRVUMSIRTWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2)14(7-5-9-15)8-6-12(3,4)10-13/h11,15H,5-10,13H2,1-4H3.
What are the key properties of 3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol?
3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 65247313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).