1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine

C29H49N — CID 123487548

IUPAC1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine
SMILESCC/N=C(/CCC(=C1CCC1)C(CC)CCCCCC1(C)CC1=C(C)C)C1CCC1
InChIInChI=1S/C29H49N/c1-6-23(13-9-8-10-20-29(5)21-27(29)22(3)4)26(24-14-11-15-24)18-19-28(30-7-2)25-16-12-17-25/h23,25H,6-21H2,1-5H3/b30-28-
InChIKeyTUTYTWJKBFFWCU-HYOGKJQXSA-N
MW411.72 g/mol
LogP9.23
Rot. Bonds13

About 1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine

1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine (PubChem CID 123487548) has the molecular formula C29H49N and a molecular weight of 411.72 g/mol. Its IUPAC name is 1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine.

Molecular Properties

Compound Name1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine
PubChem CID123487548
Molecular FormulaC29H49N
Molecular Weight411.72 g/mol
Exact Mass411.39
IUPAC Name1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine
SMILESCC/N=C(/CCC(=C1CCC1)C(CC)CCCCCC1(C)CC1=C(C)C)C1CCC1
InChIInChI=1S/C29H49N/c1-6-23(13-9-8-10-20-29(5)21-27(29)22(3)4)26(24-14-11-15-24)18-19-28(30-7-2)25-16-12-17-25/h23,25H,6-21H2,1-5H3/b30-28-
InChIKeyTUTYTWJKBFFWCU-HYOGKJQXSA-N
XLogP9.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.72
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine
CID 123769432
3-[3-[1-[(2R)-2-methylbutyl]-3-tricyclo[2.2.0.02,5]hex-2-enyl]prop-1-en-2-yl]-2H-azirine
CID 173987426

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine?
The IUPAC name of 1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine (CID 123487548) is 1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine.
What is the SMILES notation for 1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine?
The canonical SMILES for 1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine is CC/N=C(/CCC(=C1CCC1)C(CC)CCCCCC1(C)CC1=C(C)C)C1CCC1.
What is the InChIKey of 1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine?
The InChIKey is TUTYTWJKBFFWCU-HYOGKJQXSA-N. The full InChI is InChI=1S/C29H49N/c1-6-23(13-9-8-10-20-29(5)21-27(29)22(3)4)26(24-14-11-15-24)18-19-28(30-7-2)25-16-12-17-25/h23,25H,6-21H2,1-5H3/b30-28-.
What are the key properties of 1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine?
1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine has a molecular weight of 411.72 g/mol, XLogP of 9.23, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine is sourced from PubChem (CID 123487548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).