N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine

C21H39N — CID 123183975

IUPACN-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine
SMILESCC/C(=N\C)C1CC1(C)CC(C)C1CCCCC(C)CCC1
InChIInChI=1S/C21H39N/c1-6-20(22-5)19-15-21(19,4)14-17(3)18-12-8-7-10-16(2)11-9-13-18/h16-19H,6-15H2,1-5H3/b22-20+
InChIKeySVMNYMCITJGCIU-LSDHQDQOSA-N
MW305.55 g/mol
LogP6.52
Rot. Bonds5

About N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine

N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine (PubChem CID 123183975) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine
PubChem CID123183975
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC NameN-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine
SMILESCC/C(=N\C)C1CC1(C)CC(C)C1CCCCC(C)CCC1
InChIInChI=1S/C21H39N/c1-6-20(22-5)19-15-21(19,4)14-17(3)18-12-8-7-10-16(2)11-9-13-18/h16-19H,6-15H2,1-5H3/b22-20+
InChIKeySVMNYMCITJGCIU-LSDHQDQOSA-N
XLogP6.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.52
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 N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine?
The IUPAC name of N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine (CID 123183975) is N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine.
What is the SMILES notation for N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine?
The canonical SMILES for N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine is CC/C(=N\C)C1CC1(C)CC(C)C1CCCCC(C)CCC1.
What is the InChIKey of N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine?
The InChIKey is SVMNYMCITJGCIU-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H39N/c1-6-20(22-5)19-15-21(19,4)14-17(3)18-12-8-7-10-16(2)11-9-13-18/h16-19H,6-15H2,1-5H3/b22-20+.
What are the key properties of N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine?
N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine has a molecular weight of 305.55 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-2-[2-(5-methylcyclononyl)propyl]cyclopropyl]propan-1-imine is sourced from PubChem (CID 123183975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).