1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine

C11H21N3 — CID 87360750

IUPAC1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine
SMILESCC(N=C=NC1CCCCC1)N(C)C
InChIInChI=1S/C11H21N3/c1-10(14(2)3)12-9-13-11-7-5-4-6-8-11/h10-11H,4-8H2,1-3H3
InChIKeyVWHGFOZTFROBKL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.40
Rot. Bonds3

About 1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine

1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine (PubChem CID 87360750) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine
PubChem CID87360750
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine
SMILESCC(N=C=NC1CCCCC1)N(C)C
InChIInChI=1S/C11H21N3/c1-10(14(2)3)12-9-13-11-7-5-4-6-8-11/h10-11H,4-8H2,1-3H3
InChIKeyVWHGFOZTFROBKL-UHFFFAOYSA-N
XLogP2.40
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine?
The IUPAC name of 1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine (CID 87360750) is 1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine?
The canonical SMILES for 1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine is CC(N=C=NC1CCCCC1)N(C)C.
What is the InChIKey of 1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine?
The InChIKey is VWHGFOZTFROBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(14(2)3)12-9-13-11-7-5-4-6-8-11/h10-11H,4-8H2,1-3H3.
What are the key properties of 1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine?
1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine is sourced from PubChem (CID 87360750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).