N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine

C20H35N — CID 163808808

IUPACN-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine
SMILESC=NC(C)C(C)C(C)CCC1CC1C(C)/C=C1\CC1CC
InChIInChI=1S/C20H35N/c1-7-17-11-19(17)10-14(3)20-12-18(20)9-8-13(2)15(4)16(5)21-6/h10,13-18,20H,6-9,11-12H2,1-5H3/b19-10+
InChIKeyNLLBHJJDIOLPHO-VXLYETTFSA-N
MW289.51 g/mol
LogP5.76
Rot. Bonds9

About N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine

N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine (PubChem CID 163808808) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine.

Molecular Properties

Compound NameN-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine
PubChem CID163808808
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine
SMILESC=NC(C)C(C)C(C)CCC1CC1C(C)/C=C1\CC1CC
InChIInChI=1S/C20H35N/c1-7-17-11-19(17)10-14(3)20-12-18(20)9-8-13(2)15(4)16(5)21-6/h10,13-18,20H,6-9,11-12H2,1-5H3/b19-10+
InChIKeyNLLBHJJDIOLPHO-VXLYETTFSA-N
XLogP5.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.76
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'}

Analyze N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine with MolForge

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Related Compounds

2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine
CID 70961241
N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine
CID 91145112
N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine
CID 123511738
N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine
CID 123567686
N-[1-[2-[3-(6-cyclopropyl-2-methylocta-1,3-dien-3-yl)-5-ethenylidene-6-ethylundeca-8,9-dienyl]cyclooct-2-en-7-yn-1-yl]ethyl]methanimine
CID 123839451
1-(2-bicyclo[1.1.0]butanyl)-N-(4-ethylidene-6-methyl-2-propan-2-ylnonyl)methanimine
CID 124029061
N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine
CID 126641636
N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine
CID 138528440
N-[4-[2-(4-cyclopropylpent-4-enyl)cyclopropyl]cyclohex-3-en-1-yl]methanimine
CID 163930533
N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine
CID 167005140
N-[(1S,2S,6R)-3-(cyclopropylmethyl)-2,6-dimethylcyclohept-4-en-1-yl]methanimine
CID 169669218
N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine
CID 174019475

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine?
The IUPAC name of N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine (CID 163808808) is N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine.
What is the SMILES notation for N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine?
The canonical SMILES for N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine is C=NC(C)C(C)C(C)CCC1CC1C(C)/C=C1\CC1CC.
What is the InChIKey of N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine?
The InChIKey is NLLBHJJDIOLPHO-VXLYETTFSA-N. The full InChI is InChI=1S/C20H35N/c1-7-17-11-19(17)10-14(3)20-12-18(20)9-8-13(2)15(4)16(5)21-6/h10,13-18,20H,6-9,11-12H2,1-5H3/b19-10+.
What are the key properties of N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine?
N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine has a molecular weight of 289.51 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine is sourced from PubChem (CID 163808808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).