N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine

C20H35N — CID 91579874

IUPACN-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine
SMILESCCC1CC1=CC(C)=C/N=C/C(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C20H35N/c1-9-17-11-18(17)10-15(2)12-21-13-16(3)20(7,8)14-19(4,5)6/h10,12-13,16-17H,9,11,14H2,1-8H3/b15-12?,18-10?,21-13+
InChIKeyPPMURKFNXDNXPR-KUWKSNRTSA-N
MW289.51 g/mol
LogP6.42
Rot. Bonds6

About N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine

N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine (PubChem CID 91579874) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine.

Molecular Properties

Compound NameN-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine
PubChem CID91579874
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine
SMILESCCC1CC1=CC(C)=C/N=C/C(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C20H35N/c1-9-17-11-18(17)10-15(2)12-21-13-16(3)20(7,8)14-19(4,5)6/h10,12-13,16-17H,9,11,14H2,1-8H3/b15-12?,18-10?,21-13+
InChIKeyPPMURKFNXDNXPR-KUWKSNRTSA-N
XLogP6.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,4E,6Z,9E)-4-ethenyl-2-ethyl-9-fluoro-3,7,12-trimethyl-10-prop-1-en-2-yl-3-[(3E,5E)-6,7,7-trimethylocta-1,3,5-trien-3-yl]trideca-1,4,6,9-tetraenyl]ethanimine
CID 138637184
4-(5,5-diethyl-6,9-dimethylcyclonona-1,6-dien-1-yl)-N-methyl-2-methylidenepent-3-en-1-imine
CID 123200197
N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine
CID 123355380
N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine
CID 129035115
3,3-Dimethyl-6-(2,4,4,5-tetramethylhexan-2-yl)azepine
CID 129067725
5-(2,2,5,5-tetramethylhexan-3-yl)-3H-azepine
CID 134217214
3-(4-Methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine
CID 143532467
5-[2-[(6Z)-cycloocta-3,6-dien-1-yl]propan-2-yl]-3H-azepine;(3Z,5Z)-octa-1,3,5-triene
CID 143619682
3,3-Dimethyl-6-(2,4,4-trimethylpentan-2-yl)azepine
CID 145300701
3,3-Dimethyl-6-(2,3,3,4-tetramethylpentan-2-yl)azepine;ethane
CID 145300757
3,4-ditert-butyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine
CID 146228550
5-[(1Z)-buta-1,3-dienyl]-3-[(3Z)-hexa-1,3,5-trien-2-yl]-4-[(Z)-prop-1-enyl]-3,4-dihydropyridine
CID 146651690

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine?
The IUPAC name of N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine (CID 91579874) is N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine.
What is the SMILES notation for N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine?
The canonical SMILES for N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine is CCC1CC1=CC(C)=C/N=C/C(C)C(C)(C)CC(C)(C)C.
What is the InChIKey of N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine?
The InChIKey is PPMURKFNXDNXPR-KUWKSNRTSA-N. The full InChI is InChI=1S/C20H35N/c1-9-17-11-18(17)10-15(2)12-21-13-16(3)20(7,8)14-19(4,5)6/h10,12-13,16-17H,9,11,14H2,1-8H3/b15-12?,18-10?,21-13+.
What are the key properties of N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine?
N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine has a molecular weight of 289.51 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine is sourced from PubChem (CID 91579874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).