N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine

C14H23NS — CID 115891774

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine
SMILESC=CCC(C)C(C)NCc1cc(C)c(C)s1
InChIInChI=1S/C14H23NS/c1-6-7-10(2)12(4)15-9-14-8-11(3)13(5)16-14/h6,8,10,12,15H,1,7,9H2,2-5H3
InChIKeyOPDNQNRCSAJAKF-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.06
Rot. Bonds6

About N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine (PubChem CID 115891774) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine
PubChem CID115891774
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine
SMILESC=CCC(C)C(C)NCc1cc(C)c(C)s1
InChIInChI=1S/C14H23NS/c1-6-7-10(2)12(4)15-9-14-8-11(3)13(5)16-14/h6,8,10,12,15H,1,7,9H2,2-5H3
InChIKeyOPDNQNRCSAJAKF-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Tifacogin
CID 961320
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
2-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 18377285
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
2-Methyl-1-thiophen-2-yl-propylamine
CID 3159240

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine (CID 115891774) is N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine is C=CCC(C)C(C)NCc1cc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine?
The InChIKey is OPDNQNRCSAJAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-6-7-10(2)12(4)15-9-14-8-11(3)13(5)16-14/h6,8,10,12,15H,1,7,9H2,2-5H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine has a molecular weight of 237.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine is sourced from PubChem (CID 115891774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).