N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine

C21H37N — CID 59008587

IUPACN-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine
SMILESC=CCCCCCCCC/N=C/C1CC1(C)CCC=C(C)C
InChIInChI=1S/C21H37N/c1-5-6-7-8-9-10-11-12-16-22-18-20-17-21(20,4)15-13-14-19(2)3/h5,14,18,20H,1,6-13,15-17H2,2-4H3/b22-18+
InChIKeyPKZIGWRXENSKTG-RELWKKBWSA-N
MW303.53 g/mol
LogP6.75
Rot. Bonds13

About N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine

N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine (PubChem CID 59008587) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine.

Molecular Properties

Compound NameN-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine
PubChem CID59008587
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC NameN-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine
SMILESC=CCCCCCCCC/N=C/C1CC1(C)CCC=C(C)C
InChIInChI=1S/C21H37N/c1-5-6-7-8-9-10-11-12-16-22-18-20-17-21(20,4)15-13-14-19(2)3/h5,14,18,20H,1,6-13,15-17H2,2-4H3/b22-18+
InChIKeyPKZIGWRXENSKTG-RELWKKBWSA-N
XLogP6.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 56.75
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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Frequently Asked Questions

What is the IUPAC name of N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine?
The IUPAC name of N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine (CID 59008587) is N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine.
What is the SMILES notation for N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine?
The canonical SMILES for N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine is C=CCCCCCCCC/N=C/C1CC1(C)CCC=C(C)C.
What is the InChIKey of N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine?
The InChIKey is PKZIGWRXENSKTG-RELWKKBWSA-N. The full InChI is InChI=1S/C21H37N/c1-5-6-7-8-9-10-11-12-16-22-18-20-17-21(20,4)15-13-14-19(2)3/h5,14,18,20H,1,6-13,15-17H2,2-4H3/b22-18+.
What are the key properties of N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine?
N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine has a molecular weight of 303.53 g/mol, XLogP of 6.75, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine is sourced from PubChem (CID 59008587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).