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

C11H26N2O — CID 104554695

IUPAC2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)CCC(N)C(C)(C)C
InChIInChI=1S/C11H26N2O/c1-9(8-14)13(5)7-6-10(12)11(2,3)4/h9-10,14H,6-8,12H2,1-5H3
InChIKeyVQEYOYLGQCBGCV-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.06
Rot. Bonds5

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

2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol (PubChem CID 104554695) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
PubChem CID104554695
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)CCC(N)C(C)(C)C
InChIInChI=1S/C11H26N2O/c1-9(8-14)13(5)7-6-10(12)11(2,3)4/h9-10,14H,6-8,12H2,1-5H3
InChIKeyVQEYOYLGQCBGCV-UHFFFAOYSA-N
XLogP1.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine
CID 62624086
2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol
CID 104554609
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
CID 104551463
2-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]propan-1-ol
CID 104554558
3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol
CID 62623197
2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol
CID 104554566
2-[methyl(2-sulfanylethyl)amino]propan-1-ol
CID 104556945
1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine
CID 62625207
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486683
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol (CID 104554695) is 2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol is CC(CO)N(C)CCC(N)C(C)(C)C.
What is the InChIKey of 2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol?
The InChIKey is VQEYOYLGQCBGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-9(8-14)13(5)7-6-10(12)11(2,3)4/h9-10,14H,6-8,12H2,1-5H3.
What are the key properties of 2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol?
2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol is sourced from PubChem (CID 104554695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).