N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine

C11H16N2 — CID 174274962

IUPACN-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine
SMILESC=NCc1cncc(C(C)C)c1C
InChIInChI=1S/C11H16N2/c1-8(2)11-7-13-6-10(5-12-4)9(11)3/h6-8H,4-5H2,1-3H3
InChIKeyWYYXXQBKWFPGBM-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.71
Rot. Bonds3

About N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine

N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine (PubChem CID 174274962) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine.

Molecular Properties

Compound NameN-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine
PubChem CID174274962
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine
SMILESC=NCc1cncc(C(C)C)c1C
InChIInChI=1S/C11H16N2/c1-8(2)11-7-13-6-10(5-12-4)9(11)3/h6-8H,4-5H2,1-3H3
InChIKeyWYYXXQBKWFPGBM-UHFFFAOYSA-N
XLogP2.71
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.71
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

3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine
CID 130291587
N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine
CID 157214507
4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine
CID 89458114
4-(bromomethyl)-3-propan-2-ylpyridine
CID 131699764
3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine
CID 166870496
4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
CID 126704564
2-methyl-7-propan-2-ylthieno[3,2-c]pyridine
CID 169092155
3-methyl-7-propan-2-yl-[1,2]thiazolo[4,5-c]pyridine
CID 88983608
2-(4-propan-2-yl-3-pyridinyl)acetic acid
CID 82409628
2-bromo-4-fluoro-3-methyl-5-propan-2-ylpyridine
CID 170074400
4,8-di(propan-2-yl)isoquinoline
CID 59590591
ethane;3-ethyl-4,5-dimethylpyridine
CID 142026003

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine?
The IUPAC name of N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine (CID 174274962) is N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine.
What is the SMILES notation for N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine?
The canonical SMILES for N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine is C=NCc1cncc(C(C)C)c1C.
What is the InChIKey of N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine?
The InChIKey is WYYXXQBKWFPGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)11-7-13-6-10(5-12-4)9(11)3/h6-8H,4-5H2,1-3H3.
What are the key properties of N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine?
N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine has a molecular weight of 176.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine is sourced from PubChem (CID 174274962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).