N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine

C12H17ClN2 — CID 79260720

IUPACN-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine
SMILESCc1cccc(CN(CCCl)C2CC2)n1
InChIInChI=1S/C12H17ClN2/c1-10-3-2-4-11(14-10)9-15(8-7-13)12-5-6-12/h2-4,12H,5-9H2,1H3
InChIKeyPKYDZDATKGNFBF-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.59
Rot. Bonds5

About N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine

N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine (PubChem CID 79260720) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine
PubChem CID79260720
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine
SMILESCc1cccc(CN(CCCl)C2CC2)n1
InChIInChI=1S/C12H17ClN2/c1-10-3-2-4-11(14-10)9-15(8-7-13)12-5-6-12/h2-4,12H,5-9H2,1H3
InChIKeyPKYDZDATKGNFBF-UHFFFAOYSA-N
XLogP2.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.59
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

3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 102848805
3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 79260864
3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanethioamide
CID 79266921
N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 82895979
N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 79260631
N-[[6-(aminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106906242
6-[[butyl(cyclopropyl)amino]methyl]-N-ethylpyridin-2-amine
CID 79243992
2-[cyclobutyl-[(6-methoxy-2-pyridinyl)methyl]amino]ethanol
CID 102676529
2-(aminomethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 81004724
N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine
CID 63388091
2-[[(1S,2S)-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclohexyl]-[(6-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 154815678
3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile
CID 79243547

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine (CID 79260720) is N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine is Cc1cccc(CN(CCCl)C2CC2)n1.
What is the InChIKey of N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine?
The InChIKey is PKYDZDATKGNFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-10-3-2-4-11(14-10)9-15(8-7-13)12-5-6-12/h2-4,12H,5-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine?
N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine has a molecular weight of 224.73 g/mol, XLogP of 2.59, 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-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 79260720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).