1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine

C18H31N — CID 134415011

IUPAC1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine
SMILESC=C(/C(=N/C(=C(C)C)C(C)(C)C)C1CC1)C(C)(C)C
InChIInChI=1S/C18H31N/c1-12(2)16(18(7,8)9)19-15(14-10-11-14)13(3)17(4,5)6/h14H,3,10-11H2,1-2,4-9H3/b19-15-
InChIKeyBUOAXTGBFPWGIC-CYVLTUHYSA-N
MW261.45 g/mol
LogP5.78
Rot. Bonds3

About 1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine

1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine (PubChem CID 134415011) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine
PubChem CID134415011
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine
SMILESC=C(/C(=N/C(=C(C)C)C(C)(C)C)C1CC1)C(C)(C)C
InChIInChI=1S/C18H31N/c1-12(2)16(18(7,8)9)19-15(14-10-11-14)13(3)17(4,5)6/h14H,3,10-11H2,1-2,4-9H3/b19-15-
InChIKeyBUOAXTGBFPWGIC-CYVLTUHYSA-N
XLogP5.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine?
The IUPAC name of 1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine (CID 134415011) is 1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine?
The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine is C=C(/C(=N/C(=C(C)C)C(C)(C)C)C1CC1)C(C)(C)C.
What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine?
The InChIKey is BUOAXTGBFPWGIC-CYVLTUHYSA-N. The full InChI is InChI=1S/C18H31N/c1-12(2)16(18(7,8)9)19-15(14-10-11-14)13(3)17(4,5)6/h14H,3,10-11H2,1-2,4-9H3/b19-15-.
What are the key properties of 1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine?
1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine has a molecular weight of 261.45 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine is sourced from PubChem (CID 134415011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).