N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine

C16H29NS — CID 63455141

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine
SMILESCCCCCCCC(C)NC(C)c1ccc(C)s1
InChIInChI=1S/C16H29NS/c1-5-6-7-8-9-10-13(2)17-15(4)16-12-11-14(3)18-16/h11-13,15,17H,5-10H2,1-4H3
InChIKeyBGINYENXNGBSQV-UHFFFAOYSA-N
MW267.48 g/mol
LogP5.46
Rot. Bonds9

About N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine

N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine (PubChem CID 63455141) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine
PubChem CID63455141
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine
SMILESCCCCCCCC(C)NC(C)c1ccc(C)s1
InChIInChI=1S/C16H29NS/c1-5-6-7-8-9-10-13(2)17-15(4)16-12-11-14(3)18-16/h11-13,15,17H,5-10H2,1-4H3
InChIKeyBGINYENXNGBSQV-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494
1-(5-methylthiophen-2-yl)octan-1-amine
CID 43125261
N-[(1S)-1-(4-methylphenyl)ethyl]octan-2-amine
CID 81356110
1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115901716
N-[1-(2-methylphenyl)ethyl]octan-2-amine
CID 43129972
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-[1-(4-bromophenyl)ethyl]nonan-2-amine
CID 63454622

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine (CID 63455141) is N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine is CCCCCCCC(C)NC(C)c1ccc(C)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine?
The InChIKey is BGINYENXNGBSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-5-6-7-8-9-10-13(2)17-15(4)16-12-11-14(3)18-16/h11-13,15,17H,5-10H2,1-4H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine?
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine has a molecular weight of 267.48 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine is sourced from PubChem (CID 63455141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).