2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine

C9H13NS — CID 60690026

IUPAC2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(C)CNCc1cccs1
InChIInChI=1S/C9H13NS/c1-8(2)6-10-7-9-4-3-5-11-9/h3-5,10H,1,6-7H2,2H3
InChIKeyAINBEOQAXNLWTA-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.41
Rot. Bonds4

About 2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine

2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine (PubChem CID 60690026) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
PubChem CID60690026
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(C)CNCc1cccs1
InChIInChI=1S/C9H13NS/c1-8(2)6-10-7-9-4-3-5-11-9/h3-5,10H,1,6-7H2,2H3
InChIKeyAINBEOQAXNLWTA-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.41
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

(Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 106437449
(Z)-3-methyl-4-(thiophen-2-ylmethylamino)but-2-enoic acid
CID 103237384
2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 116679495
3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine
CID 54396811
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 43242497
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 2455483
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine (CID 60690026) is 2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine is C=C(C)CNCc1cccs1.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is AINBEOQAXNLWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-8(2)6-10-7-9-4-3-5-11-9/h3-5,10H,1,6-7H2,2H3.
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine?
2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 167.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 60690026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).