1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine

C19H33N3 — CID 145029649

IUPAC1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine
SMILESC=NC1=CC(C)N(/C=N/CC)C1CCC1CCC(C)(C)CC1
InChIInChI=1S/C19H33N3/c1-6-21-14-22-15(2)13-17(20-5)18(22)8-7-16-9-11-19(3,4)12-10-16/h13-16,18H,5-12H2,1-4H3/b21-14+
InChIKeyJEGKICFNYWLQEN-KGENOOAVSA-N
MW303.49 g/mol
LogP4.69
Rot. Bonds6

About 1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine

1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine (PubChem CID 145029649) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine.

Molecular Properties

Compound Name1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine
PubChem CID145029649
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine
SMILESC=NC1=CC(C)N(/C=N/CC)C1CCC1CCC(C)(C)CC1
InChIInChI=1S/C19H33N3/c1-6-21-14-22-15(2)13-17(20-5)18(22)8-7-16-9-11-19(3,4)12-10-16/h13-16,18H,5-12H2,1-4H3/b21-14+
InChIKeyJEGKICFNYWLQEN-KGENOOAVSA-N
XLogP4.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4,4-Dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole
CID 70405427
1-[(Z)-4-methylicos-11-en-3-yl]-4,5-dihydroimidazole
CID 70564309
6-(3,8-dimethyldecan-5-yl)-1,3-dimethyl-4-propan-2-yl-4H-pyrimidin-3-ium
CID 91006323
1-(4-tert-butylcyclohexa-1,3-dien-1-yl)-3-[(1R,4S)-4-tert-butylcyclohex-2-en-1-yl]-4,5-dihydroimidazol-3-ium
CID 123533546
(3aS,3bR,10aR,10bS,12aS)-1-(4,5-dihydroimidazol-1-yl)-8,10a,12a-trimethyl-3a,3b,4,5,7,9,10,10b,11,12-decahydro-3H-indeno[4,5-i][3]benzazepine
CID 144401128

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine?
The IUPAC name of 1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine (CID 145029649) is 1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine.
What is the SMILES notation for 1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine?
The canonical SMILES for 1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine is C=NC1=CC(C)N(/C=N/CC)C1CCC1CCC(C)(C)CC1.
What is the InChIKey of 1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine?
The InChIKey is JEGKICFNYWLQEN-KGENOOAVSA-N. The full InChI is InChI=1S/C19H33N3/c1-6-21-14-22-15(2)13-17(20-5)18(22)8-7-16-9-11-19(3,4)12-10-16/h13-16,18H,5-12H2,1-4H3/b21-14+.
What are the key properties of 1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine?
1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine has a molecular weight of 303.49 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4,4-dimethylcyclohexyl)ethyl]-5-methyl-3-(methylideneamino)-2,5-dihydropyrrol-1-yl]-N-ethylmethanimine is sourced from PubChem (CID 145029649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).