N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine

C14H19ClN2 — CID 81018063

IUPACN-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESClc1cnccc1CC1CCC1CNC1CC1
InChIInChI=1S/C14H19ClN2/c15-14-9-16-6-5-11(14)7-10-1-2-12(10)8-17-13-3-4-13/h5-6,9-10,12-13,17H,1-4,7-8H2
InChIKeyKQTNQOZGAOBSKE-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.06
Rot. Bonds5

About N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine

N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine (PubChem CID 81018063) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine
PubChem CID81018063
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC NameN-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESClc1cnccc1CC1CCC1CNC1CC1
InChIInChI=1S/C14H19ClN2/c15-14-9-16-6-5-11(14)7-10-1-2-12(10)8-17-13-3-4-13/h5-6,9-10,12-13,17H,1-4,7-8H2
InChIKeyKQTNQOZGAOBSKE-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
CID 81034147
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034036
1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 81026182
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81023868
N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033598
N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034599
4-[(4-bromothiolan-3-yl)methyl]-3-chloropyridine
CID 83190852
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 81026278
4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine
CID 113414026
N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81035101
2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
CID 113394727
N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034512

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine (CID 81018063) is N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine is Clc1cnccc1CC1CCC1CNC1CC1.
What is the InChIKey of N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The InChIKey is KQTNQOZGAOBSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c15-14-9-16-6-5-11(14)7-10-1-2-12(10)8-17-13-3-4-13/h5-6,9-10,12-13,17H,1-4,7-8H2.
What are the key properties of N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine?
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine has a molecular weight of 250.77 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81018063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).