N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine

C12H17NS — CID 105037504

IUPACN-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine
SMILESCC#CCCC(NC)c1sccc1C
InChIInChI=1S/C12H17NS/c1-4-5-6-7-11(13-3)12-10(2)8-9-14-12/h8-9,11,13H,6-7H2,1-3H3
InChIKeyAVPHOEOWTHGROC-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.12
Rot. Bonds4

About N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine

N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine (PubChem CID 105037504) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine
PubChem CID105037504
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine
SMILESCC#CCCC(NC)c1sccc1C
InChIInChI=1S/C12H17NS/c1-4-5-6-7-11(13-3)12-10(2)8-9-14-12/h8-9,11,13H,6-7H2,1-3H3
InChIKeyAVPHOEOWTHGROC-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylthiophen-2-yl)hex-4-yn-1-ol
CID 104809425
N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392
2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988789
N-methyl-1-(4-methyl-3-pyridinyl)hex-4-yn-1-amine
CID 114878134
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115842662
2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 103546964
1-(3-methylthiophen-2-yl)pentylhydrazine
CID 105245717
2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115841218
1-(2,6-dimethyl-3-pyridinyl)-N-methylhex-4-yn-1-amine
CID 105181422
1-(3-chlorothiophen-2-yl)hex-4-yn-1-amine
CID 105037487
N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine
CID 104804760

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine?
The IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine (CID 105037504) is N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine.
What is the SMILES notation for N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine?
The canonical SMILES for N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine is CC#CCCC(NC)c1sccc1C.
What is the InChIKey of N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine?
The InChIKey is AVPHOEOWTHGROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-4-5-6-7-11(13-3)12-10(2)8-9-14-12/h8-9,11,13H,6-7H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine?
N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine has a molecular weight of 207.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine is sourced from PubChem (CID 105037504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).