N-methyl-1-thiophen-2-yltetradecan-2-amine

C19H35NS — CID 63416157

IUPACN-methyl-1-thiophen-2-yltetradecan-2-amine
SMILESCCCCCCCCCCCCC(Cc1cccs1)NC
InChIInChI=1S/C19H35NS/c1-3-4-5-6-7-8-9-10-11-12-14-18(20-2)17-19-15-13-16-21-19/h13,15-16,18,20H,3-12,14,17H2,1-2H3
InChIKeyQRTAWZARLGNQEX-UHFFFAOYSA-N
MW309.56 g/mol
LogP6.19
Rot. Bonds14

About N-methyl-1-thiophen-2-yltetradecan-2-amine

N-methyl-1-thiophen-2-yltetradecan-2-amine (PubChem CID 63416157) has the molecular formula C19H35NS and a molecular weight of 309.56 g/mol. Its IUPAC name is N-methyl-1-thiophen-2-yltetradecan-2-amine.

Molecular Properties

Compound NameN-methyl-1-thiophen-2-yltetradecan-2-amine
PubChem CID63416157
Molecular FormulaC19H35NS
Molecular Weight309.56 g/mol
Exact Mass309.25
IUPAC NameN-methyl-1-thiophen-2-yltetradecan-2-amine
SMILESCCCCCCCCCCCCC(Cc1cccs1)NC
InChIInChI=1S/C19H35NS/c1-3-4-5-6-7-8-9-10-11-12-14-18(20-2)17-19-15-13-16-21-19/h13,15-16,18,20H,3-12,14,17H2,1-2H3
InChIKeyQRTAWZARLGNQEX-UHFFFAOYSA-N
XLogP6.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.56
LogP ≤ 56.19
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

N-methyl-1-thiophen-2-yldodecan-3-amine
CID 115860959
1-thiophen-2-yltridecan-2-amine
CID 65428259
2-(2-butyloctyl)thiophene
CID 66609412
N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine
CID 43692705
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
N-methyl-1-phenyldecan-2-amine
CID 63412341
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
N,3-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 61064795
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
1-(2,6-difluorophenyl)-N-methyloctan-2-amine
CID 114753002

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-2-yltetradecan-2-amine?
The IUPAC name of N-methyl-1-thiophen-2-yltetradecan-2-amine (CID 63416157) is N-methyl-1-thiophen-2-yltetradecan-2-amine.
What is the SMILES notation for N-methyl-1-thiophen-2-yltetradecan-2-amine?
The canonical SMILES for N-methyl-1-thiophen-2-yltetradecan-2-amine is CCCCCCCCCCCCC(Cc1cccs1)NC.
What is the InChIKey of N-methyl-1-thiophen-2-yltetradecan-2-amine?
The InChIKey is QRTAWZARLGNQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NS/c1-3-4-5-6-7-8-9-10-11-12-14-18(20-2)17-19-15-13-16-21-19/h13,15-16,18,20H,3-12,14,17H2,1-2H3.
What are the key properties of N-methyl-1-thiophen-2-yltetradecan-2-amine?
N-methyl-1-thiophen-2-yltetradecan-2-amine has a molecular weight of 309.56 g/mol, XLogP of 6.19, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-2-yltetradecan-2-amine is sourced from PubChem (CID 63416157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).