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

C9H11ClN2 — CID 53385515

IUPACN-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
SMILESClc1ccc(CNC2CC2)cn1
InChIInChI=1S/C9H11ClN2/c10-9-4-1-7(6-12-9)5-11-8-2-3-8/h1,4,6,8,11H,2-3,5H2
InChIKeyAQFBPRSYDFQSPO-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.99
Rot. Bonds3

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

N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine (PubChem CID 53385515) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
PubChem CID53385515
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
SMILESClc1ccc(CNC2CC2)cn1
InChIInChI=1S/C9H11ClN2/c10-9-4-1-7(6-12-9)5-11-8-2-3-8/h1,4,6,8,11H,2-3,5H2
InChIKeyAQFBPRSYDFQSPO-UHFFFAOYSA-N
XLogP1.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine
CID 59828914
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
CID 115584748
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]cyclopropanamine;dihydrochloride
CID 17055884
2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine
CID 86257637
(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 167828703
N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
CID 146014724
N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757509
N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine
CID 155399172
(6-chloro-3-pyridinyl)methylhydrazine;hydrochloride
CID 53229944

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine (CID 53385515) is N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine is Clc1ccc(CNC2CC2)cn1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine?
The InChIKey is AQFBPRSYDFQSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c10-9-4-1-7(6-12-9)5-11-8-2-3-8/h1,4,6,8,11H,2-3,5H2.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine?
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine has a molecular weight of 182.65 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 53385515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).