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

C10H24N2O — CID 104551463

IUPAC2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)CCC(C)(C)CN
InChIInChI=1S/C10H24N2O/c1-9(7-13)12(4)6-5-10(2,3)8-11/h9,13H,5-8,11H2,1-4H3
InChIKeyKBYWHRPNWLHGTJ-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.67
Rot. Bonds6

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

2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol (PubChem CID 104551463) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
PubChem CID104551463
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)CCC(C)(C)CN
InChIInChI=1S/C10H24N2O/c1-9(7-13)12(4)6-5-10(2,3)8-11/h9,13H,5-8,11H2,1-4H3
InChIKeyKBYWHRPNWLHGTJ-UHFFFAOYSA-N
XLogP0.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine
CID 65254460
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
CID 104554695
N'-ethyl-N',2,2-trimethylbutane-1,4-diamine
CID 65246754
N',2,2-trimethyl-N'-propylbutane-1,4-diamine
CID 65246982
3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol
CID 65247313
2-[methyl(2-sulfanylethyl)amino]propan-1-ol
CID 104556945
4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol
CID 79361238
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 65247053
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol
CID 106708066

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol (CID 104551463) is 2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol is CC(CO)N(C)CCC(C)(C)CN.
What is the InChIKey of 2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol?
The InChIKey is KBYWHRPNWLHGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-9(7-13)12(4)6-5-10(2,3)8-11/h9,13H,5-8,11H2,1-4H3.
What are the key properties of 2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol?
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol is sourced from PubChem (CID 104551463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).