N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine

C13H19ClN2 — CID 102879073

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(CNCC2(CCCl)CC2)c1
InChIInChI=1S/C13H19ClN2/c1-11-6-12(8-15-7-11)9-16-10-13(2-3-13)4-5-14/h6-8,16H,2-5,9-10H2,1H3
InChIKeyJWRZDNDEGMQCDI-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.89
Rot. Bonds6

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine (PubChem CID 102879073) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine
PubChem CID102879073
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(CNCC2(CCCl)CC2)c1
InChIInChI=1S/C13H19ClN2/c1-11-6-12(8-15-7-11)9-16-10-13(2-3-13)4-5-14/h6-8,16H,2-5,9-10H2,1H3
InChIKeyJWRZDNDEGMQCDI-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 104953831
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
CID 114757611
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine
CID 115455608
2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
CID 106117164
N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
4-chloro-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]butan-2-amine
CID 102879048
5-chloro-2,2-dimethyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
CID 106140789
N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine
CID 102880778
2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine
CID 102881049
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 114757629
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine
CID 106550743
1,1-dimethyl-2-[(5-methyl-3-pyridinyl)methyl]hydrazine
CID 102881007

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine (CID 102879073) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine is Cc1cncc(CNCC2(CCCl)CC2)c1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is JWRZDNDEGMQCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-11-6-12(8-15-7-11)9-16-10-13(2-3-13)4-5-14/h6-8,16H,2-5,9-10H2,1H3.
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 238.76 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 102879073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).