1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine

C12H20N2 — CID 123662192

IUPAC1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine
SMILESCCCC(C)/N=C/N1C=CC=CC1C
InChIInChI=1S/C12H20N2/c1-4-7-11(2)13-10-14-9-6-5-8-12(14)3/h5-6,8-12H,4,7H2,1-3H3/b13-10+
InChIKeyMZSRQOUVDSMNHD-JLHYYAGUSA-N
MW192.31 g/mol
LogP2.98
Rot. Bonds4

About 1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine

1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine (PubChem CID 123662192) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine.

Molecular Properties

Compound Name1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine
PubChem CID123662192
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine
SMILESCCCC(C)/N=C/N1C=CC=CC1C
InChIInChI=1S/C12H20N2/c1-4-7-11(2)13-10-14-9-6-5-8-12(14)3/h5-6,8-12H,4,7H2,1-3H3/b13-10+
InChIKeyMZSRQOUVDSMNHD-JLHYYAGUSA-N
XLogP2.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(2H-pyridin-1-yl)methanimine
CID 67807854
1,8a-Dihydroimidazo[1,5-a]pyridine;ethane
CID 90971508
N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine
CID 123279872
3-Methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine
CID 123552098
4aH-pyrido[1,2-c]pyrimidine
CID 123905856
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 137445526
1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
CID 139397212
N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 139453805
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide
CID 143839387
N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide
CID 146531997
(Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine
CID 146532675
(6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine
CID 154552223

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine?
The IUPAC name of 1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine (CID 123662192) is 1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine.
What is the SMILES notation for 1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine?
The canonical SMILES for 1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine is CCCC(C)/N=C/N1C=CC=CC1C.
What is the InChIKey of 1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine?
The InChIKey is MZSRQOUVDSMNHD-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-7-11(2)13-10-14-9-6-5-8-12(14)3/h5-6,8-12H,4,7H2,1-3H3/b13-10+.
What are the key properties of 1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine?
1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine has a molecular weight of 192.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine is sourced from PubChem (CID 123662192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).