N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine

C11H16N2 — CID 177347097

IUPACN-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine
SMILESC=NC1=C(C(=C)C(C)C)CNC=C1
InChIInChI=1S/C11H16N2/c1-8(2)9(3)10-7-13-6-5-11(10)12-4/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyDLDHQGJSWKOTLZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.27
Rot. Bonds3

About N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine

N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine (PubChem CID 177347097) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine.

Molecular Properties

Compound NameN-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine
PubChem CID177347097
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine
SMILESC=NC1=C(C(=C)C(C)C)CNC=C1
InChIInChI=1S/C11H16N2/c1-8(2)9(3)10-7-13-6-5-11(10)12-4/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyDLDHQGJSWKOTLZ-UHFFFAOYSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
CID 167148048
2-methylidene-3,4-di(propan-2-yl)-1H-pyridine
CID 60125641
4-methylidene-2,3-di(propan-2-yl)-1H-pyridine
CID 60125671
1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine
CID 71124311
(1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine
CID 88905965
2-Methyl-4-[(propan-2-ylamino)methyl]cyclohexa-1,5-dien-1-amine
CID 88992212
N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
CID 88997056
5-Methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
CID 89395028
(Z)-1-(3,4-dihydropyridin-5-yl)-N-methylprop-1-en-1-amine
CID 89491188
N-[1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]-3-iminopropan-1-amine
CID 90048178
6-(3-Methylbutyl)-1,2-dihydropyridine
CID 117681883
3-propan-2-yl-5,6-dihydro-1H-indole
CID 118203501

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine?
The IUPAC name of N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine (CID 177347097) is N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine.
What is the SMILES notation for N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine?
The canonical SMILES for N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine is C=NC1=C(C(=C)C(C)C)CNC=C1.
What is the InChIKey of N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine?
The InChIKey is DLDHQGJSWKOTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)9(3)10-7-13-6-5-11(10)12-4/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine?
N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine has a molecular weight of 176.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbut-1-en-2-yl)-1,2-dihydropyridin-4-yl]methanimine is sourced from PubChem (CID 177347097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).