N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine

C10H13NS — CID 60699685

IUPACN-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
SMILESC#CCN(C)C(C)c1cccs1
InChIInChI=1S/C10H13NS/c1-4-7-11(3)9(2)10-6-5-8-12-10/h1,5-6,8-9H,7H2,2-3H3
InChIKeyFLKCQULOUMXBPO-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.37
Rot. Bonds3

About N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine

N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine (PubChem CID 60699685) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
PubChem CID60699685
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
SMILESC#CCN(C)C(C)c1cccs1
InChIInChI=1S/C10H13NS/c1-4-7-11(3)9(2)10-6-5-8-12-10/h1,5-6,8-9H,7H2,2-3H3
InChIKeyFLKCQULOUMXBPO-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pent-4-yn-2-ylthiophene
CID 83934777
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
1-N-methyl-1-N-(1-thiophen-2-ylethyl)hexane-1,5-diamine
CID 82853429
N-methyl-N-(1-thiophen-2-ylethyl)formamide
CID 64990731
N-methyl-N-[1-(4-methylphenyl)ethyl]prop-2-yn-1-amine
CID 59766585
2-propan-2-ylthiophene
CID 178128598
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 60699719
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 62429055
N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
CID 63666886

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine?
The IUPAC name of N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine (CID 60699685) is N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine?
The canonical SMILES for N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine is C#CCN(C)C(C)c1cccs1.
What is the InChIKey of N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine?
The InChIKey is FLKCQULOUMXBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-4-7-11(3)9(2)10-6-5-8-12-10/h1,5-6,8-9H,7H2,2-3H3.
What are the key properties of N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine?
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine has a molecular weight of 179.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine is sourced from PubChem (CID 60699685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).