4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine

C13H26N2O — CID 114763004

IUPAC4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(CCOC)C2CC2)CC1
InChIInChI=1S/C13H26N2O/c1-14-11-3-5-12(6-4-11)15(9-10-16-2)13-7-8-13/h11-14H,3-10H2,1-2H3
InChIKeyZPWSUTVSYPDBDB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds6

About 4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine

4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine (PubChem CID 114763004) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine
PubChem CID114763004
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(CCOC)C2CC2)CC1
InChIInChI=1S/C13H26N2O/c1-14-11-3-5-12(6-4-11)15(9-10-16-2)13-7-8-13/h11-14H,3-10H2,1-2H3
InChIKeyZPWSUTVSYPDBDB-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine (CID 114763004) is 4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine is CNC1CCC(N(CCOC)C2CC2)CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is ZPWSUTVSYPDBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-11-3-5-12(6-4-11)15(9-10-16-2)13-7-8-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine?
4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 114763004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).