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

C14H25NS — CID 115324978

IUPAC5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
SMILESCCC(NCCCCC(C)C)c1cccs1
InChIInChI=1S/C14H25NS/c1-4-13(14-9-7-11-16-14)15-10-6-5-8-12(2)3/h7,9,11-13,15H,4-6,8,10H2,1-3H3
InChIKeyISLZRWHVCJWURU-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.62
Rot. Bonds8

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

5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine (PubChem CID 115324978) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
PubChem CID115324978
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
SMILESCCC(NCCCCC(C)C)c1cccs1
InChIInChI=1S/C14H25NS/c1-4-13(14-9-7-11-16-14)15-10-6-5-8-12(2)3/h7,9,11-13,15H,4-6,8,10H2,1-3H3
InChIKeyISLZRWHVCJWURU-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine
CID 115894417
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552
N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031852
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212
1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 54964719
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
CID 115324466
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646
N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
CID 104578061
N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
CID 43760503

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine (CID 115324978) is 5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine is CCC(NCCCCC(C)C)c1cccs1.
What is the InChIKey of 5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine?
The InChIKey is ISLZRWHVCJWURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-4-13(14-9-7-11-16-14)15-10-6-5-8-12(2)3/h7,9,11-13,15H,4-6,8,10H2,1-3H3.
What are the key properties of 5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine?
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.62, 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-ylpropyl)hexan-1-amine is sourced from PubChem (CID 115324978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).