N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C14H15ClN2S — CID 61434645

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESClc1ccc(CN(Cc2ccsc2)C2CC2)cn1
InChIInChI=1S/C14H15ClN2S/c15-14-4-1-11(7-16-14)8-17(13-2-3-13)9-12-5-6-18-10-12/h1,4-7,10,13H,2-3,8-9H2
InChIKeyGIWHUQSCJXFOJJ-UHFFFAOYSA-N
MW278.81 g/mol
LogP3.96
Rot. Bonds5

About N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 61434645) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID61434645
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESClc1ccc(CN(Cc2ccsc2)C2CC2)cn1
InChIInChI=1S/C14H15ClN2S/c15-14-4-1-11(7-16-14)8-17(13-2-3-13)9-12-5-6-18-10-12/h1,4-7,10,13H,2-3,8-9H2
InChIKeyGIWHUQSCJXFOJJ-UHFFFAOYSA-N
XLogP3.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 111434936
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 80609529
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-amino-4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434075
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62470809
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62892730
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243021
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62436984
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 61434645) is N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is Clc1ccc(CN(Cc2ccsc2)C2CC2)cn1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is GIWHUQSCJXFOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c15-14-4-1-11(7-16-14)8-17(13-2-3-13)9-12-5-6-18-10-12/h1,4-7,10,13H,2-3,8-9H2.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 278.81 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 61434645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).