N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine

C10H14ClNS — CID 61435255

IUPACN-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESClCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C10H14ClNS/c11-4-5-12(10-1-2-10)7-9-3-6-13-8-9/h3,6,8,10H,1-2,4-5,7H2
InChIKeyWFIJWPOKRLKWEO-UHFFFAOYSA-N
MW215.75 g/mol
LogP2.95
Rot. Bonds5

About N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine

N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 61435255) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID61435255
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC NameN-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESClCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C10H14ClNS/c11-4-5-12(10-1-2-10)7-9-3-6-13-8-9/h3,6,8,10H,1-2,4-5,7H2
InChIKeyWFIJWPOKRLKWEO-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 79479893
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 62435574
N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62212509
1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62630679
N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]cyclopropanamine
CID 63387371
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 62644705

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 61435255) is N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine is ClCCN(Cc1ccsc1)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is WFIJWPOKRLKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c11-4-5-12(10-1-2-10)7-9-3-6-13-8-9/h3,6,8,10H,1-2,4-5,7H2.
What are the key properties of N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 215.75 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 61435255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).