7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine

C16H29NS — CID 63991434

IUPAC7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
SMILESCc1ccsc1C(C)NCCCCCCC(C)C
InChIInChI=1S/C16H29NS/c1-13(2)9-7-5-6-8-11-17-15(4)16-14(3)10-12-18-16/h10,12-13,15,17H,5-9,11H2,1-4H3
InChIKeySJDHPFPFBTZATP-UHFFFAOYSA-N
MW267.48 g/mol
LogP5.31
Rot. Bonds9

About 7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine

7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine (PubChem CID 63991434) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
PubChem CID63991434
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
SMILESCc1ccsc1C(C)NCCCCCCC(C)C
InChIInChI=1S/C16H29NS/c1-13(2)9-7-5-6-8-11-17-15(4)16-14(3)10-12-18-16/h10,12-13,15,17H,5-9,11H2,1-4H3
InChIKeySJDHPFPFBTZATP-UHFFFAOYSA-N
XLogP5.31
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 ≤ 55.31
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

5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
CID 115890210
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 63992889
N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
CID 43098047
N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 63993076
5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
CID 115325063
N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine?
The IUPAC name of 7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine (CID 63991434) is 7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine.
What is the SMILES notation for 7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine?
The canonical SMILES for 7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine is Cc1ccsc1C(C)NCCCCCCC(C)C.
What is the InChIKey of 7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine?
The InChIKey is SJDHPFPFBTZATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-13(2)9-7-5-6-8-11-17-15(4)16-14(3)10-12-18-16/h10,12-13,15,17H,5-9,11H2,1-4H3.
What are the key properties of 7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine?
7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine has a molecular weight of 267.48 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine is sourced from PubChem (CID 63991434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).