(E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine

C20H37N — CID 162434682

IUPAC(E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine
SMILES[H]/N=C/C/C=C(\C)CC1(C)CCC1(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C20H37N/c1-16(10-9-13-21)14-19(7)11-12-20(19,8)15-18(5,6)17(2,3)4/h10,13,21H,9,11-12,14-15H2,1-8H3/b16-10+,21-13+
InChIKeyNMFHSAYEJCQAQC-INRPQCPQSA-N
MW291.52 g/mol
LogP6.63
Rot. Bonds6

About (E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine

(E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine (PubChem CID 162434682) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is (E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine.

Molecular Properties

Compound Name(E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine
PubChem CID162434682
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name(E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine
SMILES[H]/N=C/C/C=C(\C)CC1(C)CCC1(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C20H37N/c1-16(10-9-13-21)14-19(7)11-12-20(19,8)15-18(5,6)17(2,3)4/h10,13,21H,9,11-12,14-15H2,1-8H3/b16-10+,21-13+
InChIKeyNMFHSAYEJCQAQC-INRPQCPQSA-N
XLogP6.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.63
H-Bond Donors ≤ 51
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

(Z)-3-methyl-5-(1,2,2-trimethylcyclopropyl)pent-2-en-1-imine
CID 89392874
4-Ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine
CID 90813962
(E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-3-en-1-imine
CID 117943408
2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine
CID 122550534
[4-(4,8-Dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine
CID 123155194
[1,4,8-Trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine
CID 123245329
8-Ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine
CID 123840408
3-(6,6-Dimethyl-2-bicyclo[3.1.1]hept-2-enyl)propan-1-imine
CID 123975814
(E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)non-6-en-1-imine
CID 141781640
ethane;6-ethyl-2-methylnonane;(E)-4-methylhex-3-en-1-imine
CID 141854677
[4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-en-1-yl]methanimine
CID 145648590
(2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine
CID 146481462

Frequently Asked Questions

What is the IUPAC name of (E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine?
The IUPAC name of (E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine (CID 162434682) is (E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine.
What is the SMILES notation for (E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine?
The canonical SMILES for (E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine is [H]/N=C/C/C=C(\C)CC1(C)CCC1(C)CC(C)(C)C(C)(C)C.
What is the InChIKey of (E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine?
The InChIKey is NMFHSAYEJCQAQC-INRPQCPQSA-N. The full InChI is InChI=1S/C20H37N/c1-16(10-9-13-21)14-19(7)11-12-20(19,8)15-18(5,6)17(2,3)4/h10,13,21H,9,11-12,14-15H2,1-8H3/b16-10+,21-13+.
What are the key properties of (E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine?
(E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine has a molecular weight of 291.52 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine is sourced from PubChem (CID 162434682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).