N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine

C19H35NS — CID 63448004

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine
SMILESCCCCCC(CCCCC)NC(c1cccs1)C(C)C
InChIInChI=1S/C19H35NS/c1-5-7-9-12-17(13-10-8-6-2)20-19(16(3)4)18-14-11-15-21-18/h11,14-17,19-20H,5-10,12-13H2,1-4H3
InChIKeyWJBFTBWQLBKLGH-UHFFFAOYSA-N
MW309.56 g/mol
LogP6.56
Rot. Bonds12

About N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine

N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine (PubChem CID 63448004) has the molecular formula C19H35NS and a molecular weight of 309.56 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine
PubChem CID63448004
Molecular FormulaC19H35NS
Molecular Weight309.56 g/mol
Exact Mass309.25
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine
SMILESCCCCCC(CCCCC)NC(c1cccs1)C(C)C
InChIInChI=1S/C19H35NS/c1-5-7-9-12-17(13-10-8-6-2)20-19(16(3)4)18-14-11-15-21-18/h11,14-17,19-20H,5-10,12-13H2,1-4H3
InChIKeyWJBFTBWQLBKLGH-UHFFFAOYSA-N
XLogP6.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.56
LogP ≤ 56.56
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

3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol
CID 115888558
(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
CID 103922693
5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine
CID 43722998
2-tetradecan-7-ylthiophene
CID 137450901
N-(1-thiophen-2-ylbutyl)nonan-2-amine
CID 63456215
2-heptadecan-5-ylthiophene
CID 19734009
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
2-(1-bromononyl)thiophene
CID 65427153
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43769722
N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine
CID 106023478

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine (CID 63448004) is N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine is CCCCCC(CCCCC)NC(c1cccs1)C(C)C.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine?
The InChIKey is WJBFTBWQLBKLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NS/c1-5-7-9-12-17(13-10-8-6-2)20-19(16(3)4)18-14-11-15-21-18/h11,14-17,19-20H,5-10,12-13H2,1-4H3.
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine?
N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine has a molecular weight of 309.56 g/mol, XLogP of 6.56, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine is sourced from PubChem (CID 63448004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).