5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine

C15H27NS — CID 63456390

IUPAC5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine
SMILESCCCC(NC(C)CCC(C)C)c1cccs1
InChIInChI=1S/C15H27NS/c1-5-7-14(15-8-6-11-17-15)16-13(4)10-9-12(2)3/h6,8,11-14,16H,5,7,9-10H2,1-4H3
InChIKeyUXWCZGGEJKHCRY-UHFFFAOYSA-N
MW253.45 g/mol
LogP5.00
Rot. Bonds8

About 5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine

5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine (PubChem CID 63456390) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine
PubChem CID63456390
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine
SMILESCCCC(NC(C)CCC(C)C)c1cccs1
InChIInChI=1S/C15H27NS/c1-5-7-14(15-8-6-11-17-15)16-13(4)10-9-12(2)3/h6,8,11-14,16H,5,7,9-10H2,1-4H3
InChIKeyUXWCZGGEJKHCRY-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-thiophen-2-ylbutyl)nonan-2-amine
CID 63456215
3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine
CID 63454459
N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962630
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol
CID 103871621
N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962436
3-methyl-2-(1-thiophen-2-ylbutylamino)butanoic acid
CID 103244536
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
1-thiophen-2-ylbutylcyanamide
CID 62481656
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine?
The IUPAC name of 5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine (CID 63456390) is 5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine?
The canonical SMILES for 5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine is CCCC(NC(C)CCC(C)C)c1cccs1.
What is the InChIKey of 5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine?
The InChIKey is UXWCZGGEJKHCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-5-7-14(15-8-6-11-17-15)16-13(4)10-9-12(2)3/h6,8,11-14,16H,5,7,9-10H2,1-4H3.
What are the key properties of 5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine?
5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine has a molecular weight of 253.45 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine is sourced from PubChem (CID 63456390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).