N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine

C13H20N2 — CID 90268587

IUPACN-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine
SMILESCCC(C)C(C)/N=C(\C)c1ccccn1
InChIInChI=1S/C13H20N2/c1-5-10(2)11(3)15-12(4)13-8-6-7-9-14-13/h6-11H,5H2,1-4H3/b15-12+
InChIKeyNNKJPZYCUFQYRY-NTCAYCPXSA-N
MW204.32 g/mol
LogP3.33
Rot. Bonds4

About N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine

N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine (PubChem CID 90268587) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine
PubChem CID90268587
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine
SMILESCCC(C)C(C)/N=C(\C)c1ccccn1
InChIInChI=1S/C13H20N2/c1-5-10(2)11(3)15-12(4)13-8-6-7-9-14-13/h6-11H,5H2,1-4H3/b15-12+
InChIKeyNNKJPZYCUFQYRY-NTCAYCPXSA-N
XLogP3.33
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-methyl-2-(1-pyridin-2-ylethylideneamino)pentanoic acid
CID 102026365
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
1-butan-2-yl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea
CID 5468466
N-butyl-1-pyridin-2-ylethanimine
CID 583773
N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine
CID 76696793
2-(1-pyridin-2-ylethylideneamino)benzenethiol
CID 135426936
N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine
CID 102087049
propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate
CID 173495171
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine?
The IUPAC name of N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine (CID 90268587) is N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine.
What is the SMILES notation for N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine?
The canonical SMILES for N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine is CCC(C)C(C)/N=C(\C)c1ccccn1.
What is the InChIKey of N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine?
The InChIKey is NNKJPZYCUFQYRY-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-10(2)11(3)15-12(4)13-8-6-7-9-14-13/h6-11H,5H2,1-4H3/b15-12+.
What are the key properties of N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine?
N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine has a molecular weight of 204.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine is sourced from PubChem (CID 90268587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).