(Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine

C9H12ClNS — CID 106437449

IUPAC(Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
SMILESC/C(=C/Cl)CNCc1cccs1
InChIInChI=1S/C9H12ClNS/c1-8(5-10)6-11-7-9-3-2-4-12-9/h2-5,11H,6-7H2,1H3/b8-5-
InChIKeyDTUIWUBJTRGEQI-YVMONPNESA-N
MW201.72 g/mol
LogP2.98
Rot. Bonds4

About (Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine

(Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine (PubChem CID 106437449) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is (Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
PubChem CID106437449
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name(Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
SMILESC/C(=C/Cl)CNCc1cccs1
InChIInChI=1S/C9H12ClNS/c1-8(5-10)6-11-7-9-3-2-4-12-9/h2-5,11H,6-7H2,1H3/b8-5-
InChIKeyDTUIWUBJTRGEQI-YVMONPNESA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-methyl-4-(thiophen-2-ylmethylamino)but-2-enoic acid
CID 103237384
2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 60690026
3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine
CID 54396811
2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 116679495
3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106437836
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine
CID 79341006
2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
CID 53347623
N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 43242501
3-chloro-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 115363553
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of (Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine (CID 106437449) is (Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine is C/C(=C/Cl)CNCc1cccs1.
What is the InChIKey of (Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is DTUIWUBJTRGEQI-YVMONPNESA-N. The full InChI is InChI=1S/C9H12ClNS/c1-8(5-10)6-11-7-9-3-2-4-12-9/h2-5,11H,6-7H2,1H3/b8-5-.
What are the key properties of (Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine?
(Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 201.72 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 106437449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).