2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol

C14H26N2OS — CID 113475472

IUPAC2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol
SMILESCCC(N)C(c1ccc(C)s1)N(C)C(C)(C)CO
InChIInChI=1S/C14H26N2OS/c1-6-11(15)13(12-8-7-10(2)18-12)16(5)14(3,4)9-17/h7-8,11,13,17H,6,9,15H2,1-5H3
InChIKeyIOGLZTZQBNVQHH-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.54
Rot. Bonds6

About 2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol

2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol (PubChem CID 113475472) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol
PubChem CID113475472
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol
SMILESCCC(N)C(c1ccc(C)s1)N(C)C(C)(C)CO
InChIInChI=1S/C14H26N2OS/c1-6-11(15)13(12-8-7-10(2)18-12)16(5)14(3,4)9-17/h7-8,11,13,17H,6,9,15H2,1-5H3
InChIKeyIOGLZTZQBNVQHH-UHFFFAOYSA-N
XLogP2.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 63406369
1-N-(2-methylpropyl)-1-(5-methylthiophen-2-yl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79489989
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 63232892
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 79062272
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine
CID 112657665
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine
CID 63695121
2-amino-N,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79805331
1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine
CID 63983496
ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate
CID 61327208
2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 79067555
1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine
CID 63694426

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol (CID 113475472) is 2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol is CCC(N)C(c1ccc(C)s1)N(C)C(C)(C)CO.
What is the InChIKey of 2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol?
The InChIKey is IOGLZTZQBNVQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-6-11(15)13(12-8-7-10(2)18-12)16(5)14(3,4)9-17/h7-8,11,13,17H,6,9,15H2,1-5H3.
What are the key properties of 2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol?
2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol has a molecular weight of 270.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(5-methylthiophen-2-yl)butyl]-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 113475472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).