N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine

C16H29NS — CID 65448579

IUPACN-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
SMILESCCCCCCCCC(NCC)c1sccc1C
InChIInChI=1S/C16H29NS/c1-4-6-7-8-9-10-11-15(17-5-2)16-14(3)12-13-18-16/h12-13,15,17H,4-11H2,1-3H3
InChIKeyGVSGKURNDPVPDH-UHFFFAOYSA-N
MW267.48 g/mol
LogP5.46
Rot. Bonds10

About N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine

N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine (PubChem CID 65448579) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
PubChem CID65448579
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC NameN-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
SMILESCCCCCCCCC(NCC)c1sccc1C
InChIInChI=1S/C16H29NS/c1-4-6-7-8-9-10-11-15(17-5-2)16-14(3)12-13-18-16/h12-13,15,17H,4-11H2,1-3H3
InChIKeyGVSGKURNDPVPDH-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 55.46
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-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392
1-(3-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
CID 105166453
1-(3-methylthiophen-2-yl)pentylhydrazine
CID 105245717
1-(3-methylthiophen-2-yl)tridecan-1-ol
CID 65148369
N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
CID 105039269
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79989421
1-(3-methylthiophen-2-yl)hexan-1-amine;hydrochloride
CID 86262849
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine?
The IUPAC name of N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine (CID 65448579) is N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine is CCCCCCCCC(NCC)c1sccc1C.
What is the InChIKey of N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine?
The InChIKey is GVSGKURNDPVPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-4-6-7-8-9-10-11-15(17-5-2)16-14(3)12-13-18-16/h12-13,15,17H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine?
N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine has a molecular weight of 267.48 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine is sourced from PubChem (CID 65448579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).