N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine

C15H27N — CID 123626745

IUPACN-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine
SMILESC=C(CC)C(C1CC1C)C(/N=C/C)C(C)C
InChIInChI=1S/C15H27N/c1-7-11(5)14(13-9-12(13)6)15(10(3)4)16-8-2/h8,10,12-15H,5,7,9H2,1-4,6H3/b16-8+
InChIKeyIZMVCYAYBJCMHJ-LZYBPNLTSA-N
MW221.39 g/mol
LogP4.34
Rot. Bonds6

About N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine

N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine (PubChem CID 123626745) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine.

Molecular Properties

Compound NameN-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine
PubChem CID123626745
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine
SMILESC=C(CC)C(C1CC1C)C(/N=C/C)C(C)C
InChIInChI=1S/C15H27N/c1-7-11(5)14(13-9-12(13)6)15(10(3)4)16-8-2/h8,10,12-15H,5,7,9H2,1-4,6H3/b16-8+
InChIKeyIZMVCYAYBJCMHJ-LZYBPNLTSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine
CID 70961241
N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine
CID 123256793
N-(5-methyl-7-propyldec-1-en-4-yl)ethanimine
CID 123276436
N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine
CID 123433831
N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine
CID 134300471
N-(4-methyl-3-methylidenehexan-2-yl)ethanimine
CID 137536264
N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine
CID 138460916
N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine
CID 139381963
7-Ethyl-3-methyl-5-prop-1-en-2-yl-2-azabicyclo[4.1.0]hept-2-ene
CID 166780326
(5S)-2-ethyl-5-methyl-4-methylidene-2,3,5,6-tetrahydroazepine
CID 169824024
2-Cyclopropyl-4-propan-2-yl-2,3-dihydropyridine
CID 177186210

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine?
The IUPAC name of N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine (CID 123626745) is N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine.
What is the SMILES notation for N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine?
The canonical SMILES for N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine is C=C(CC)C(C1CC1C)C(/N=C/C)C(C)C.
What is the InChIKey of N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine?
The InChIKey is IZMVCYAYBJCMHJ-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H27N/c1-7-11(5)14(13-9-12(13)6)15(10(3)4)16-8-2/h8,10,12-15H,5,7,9H2,1-4,6H3/b16-8+.
What are the key properties of N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine?
N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine has a molecular weight of 221.39 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine is sourced from PubChem (CID 123626745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).