N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine

C23H41N — CID 91085247

IUPACN-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine
SMILESCCCC1CC1=CC(/C=N/CC)CC1(C)CCCC(C)CCC1C
InChIInChI=1S/C23H41N/c1-6-9-21-15-22(21)14-20(17-24-7-2)16-23(5)13-8-10-18(3)11-12-19(23)4/h14,17-21H,6-13,15-16H2,1-5H3/b22-14?,24-17+
InChIKeyWPRHJGRQGKCPGV-QWHUTSBQSA-N
MW331.59 g/mol
LogP7.07
Rot. Bonds7

About N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine

N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine (PubChem CID 91085247) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine.

Molecular Properties

Compound NameN-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine
PubChem CID91085247
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC NameN-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine
SMILESCCCC1CC1=CC(/C=N/CC)CC1(C)CCCC(C)CCC1C
InChIInChI=1S/C23H41N/c1-6-9-21-15-22(21)14-20(17-24-7-2)16-23(5)13-8-10-18(3)11-12-19(23)4/h14,17-21H,6-13,15-16H2,1-5H3/b22-14?,24-17+
InChIKeyWPRHJGRQGKCPGV-QWHUTSBQSA-N
XLogP7.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 57.07
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

N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine
CID 59008587
2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine
CID 70961241
[1,4,8-Trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine
CID 123245329
N-ethyl-4-(3,5,8-trimethylcyclooct-3-en-1-yl)butan-1-imine
CID 123359959
2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine
CID 123504857
Dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium
CID 123658981
(E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine
CID 123794453
N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine
CID 134201764
(2E,6E)-9-cyclobutyl-5-[(2S)-2-[(3E)-4-ethyl-3-ethylideneheptyl]-2-methylcyclopropyl]-N,7-dimethylnona-2,6-dien-1-imine
CID 134477453
(2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine
CID 138701564
(E)-10-butan-2-yl-2,5,6,9,10,13-hexamethyl-5-propan-2-ylhexadec-6-ene;ethane;N-methylethanimine
CID 153568283
N-[(E)-5-(2-ethyl-1,2,3-trimethylcyclopropyl)pent-2-enyl]propan-1-imine
CID 156422295

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine?
The IUPAC name of N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine (CID 91085247) is N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine.
What is the SMILES notation for N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine?
The canonical SMILES for N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine is CCCC1CC1=CC(/C=N/CC)CC1(C)CCCC(C)CCC1C.
What is the InChIKey of N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine?
The InChIKey is WPRHJGRQGKCPGV-QWHUTSBQSA-N. The full InChI is InChI=1S/C23H41N/c1-6-9-21-15-22(21)14-20(17-24-7-2)16-23(5)13-8-10-18(3)11-12-19(23)4/h14,17-21H,6-13,15-16H2,1-5H3/b22-14?,24-17+.
What are the key properties of N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine?
N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine has a molecular weight of 331.59 g/mol, XLogP of 7.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine is sourced from PubChem (CID 91085247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).