(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol

C13H23NOS — CID 103871621

IUPAC(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol
SMILESCC(C)CC(N[C@H](C)CCO)c1cccs1
InChIInChI=1S/C13H23NOS/c1-10(2)9-12(13-5-4-8-16-13)14-11(3)6-7-15/h4-5,8,10-12,14-15H,6-7,9H2,1-3H3/t11-,12?/m1/s1
InChIKeyNVCYQIISAWZKAC-JHJMLUEUSA-N
MW241.40 g/mol
LogP3.20
Rot. Bonds7

About (3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol

(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol (PubChem CID 103871621) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is (3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol
PubChem CID103871621
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol
SMILESCC(C)CC(N[C@H](C)CCO)c1cccs1
InChIInChI=1S/C13H23NOS/c1-10(2)9-12(13-5-4-8-16-13)14-11(3)6-7-15/h4-5,8,10-12,14-15H,6-7,9H2,1-3H3/t11-,12?/m1/s1
InChIKeyNVCYQIISAWZKAC-JHJMLUEUSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol with MolForge

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Related Compounds

5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine
CID 63456390
(2S)-1-[(3-methyl-1-thiophen-2-ylbutyl)amino]propan-2-ol
CID 103906407
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
3-(3-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol
CID 115723171
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
CID 115706824
3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine
CID 63454459
3-(1,2-dithiophen-2-ylethylamino)-4-methylpentan-1-ol
CID 103786463
N-(1-thiophen-2-ylbutyl)nonan-2-amine
CID 63456215
3-methyl-N-(2-methylsulfanylpropyl)-1-thiophen-2-ylbutan-1-amine
CID 115895478
2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
CID 43104723

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol?
The IUPAC name of (3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol (CID 103871621) is (3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol.
What is the SMILES notation for (3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol?
The canonical SMILES for (3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol is CC(C)CC(N[C@H](C)CCO)c1cccs1.
What is the InChIKey of (3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol?
The InChIKey is NVCYQIISAWZKAC-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H23NOS/c1-10(2)9-12(13-5-4-8-16-13)14-11(3)6-7-15/h4-5,8,10-12,14-15H,6-7,9H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of (3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol?
(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol is sourced from PubChem (CID 103871621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).