N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine

C13H19ClN2 — CID 114757629

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNCC2(CCCl)CC2)n1
InChIInChI=1S/C13H19ClN2/c1-11-3-2-4-12(16-11)9-15-10-13(5-6-13)7-8-14/h2-4,15H,5-10H2,1H3
InChIKeyFNYFWVYRVUPAHG-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.89
Rot. Bonds6

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 114757629) 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-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID114757629
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNCC2(CCCl)CC2)n1
InChIInChI=1S/C13H19ClN2/c1-11-3-2-4-12(16-11)9-15-10-13(5-6-13)7-8-14/h2-4,15H,5-10H2,1H3
InChIKeyFNYFWVYRVUPAHG-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

Methyl(6-methyl-2-pyridylmethyl)amine
CID 81438
3,6,9,12,18-Pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene
CID 11207423
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylethanamine;hydrochloride
CID 12004695
3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene
CID 586675
Benzyl((6-methylpyridin-2-yl)methyl)amine
CID 6484155
(3,6-Dimethylpyridin-2-yl)methanamine
CID 22948776
5,6-Dimethyl-2-pyridinemethanamine
CID 45079545
(6-Methylpyridin-2-yl)methanamine hydrochloride
CID 70700951
1-(5,6-Dimethylpyridin-2-yl)methanamine dihydrochloride
CID 162394399
3,6,10,13,19-Pentazabicyclo[13.3.1]nonadeca-1(19),15,17-triene
CID 23422492
2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene
CID 300562
Dichloromanganese; 3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),14,16-triene
CID 15301569

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine (CID 114757629) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine is Cc1cccc(CNCC2(CCCl)CC2)n1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is FNYFWVYRVUPAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-11-3-2-4-12(16-11)9-15-10-13(5-6-13)7-8-14/h2-4,15H,5-10H2,1H3.
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-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-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 114757629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).