2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine

C15H32N2O — CID 103226975

IUPAC2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCNCC(COC)N(CC(C)C)C1CCCC1
InChIInChI=1S/C15H32N2O/c1-5-16-10-15(12-18-4)17(11-13(2)3)14-8-6-7-9-14/h13-16H,5-12H2,1-4H3
InChIKeySDSPUBRAXZQMKG-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds9

About 2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine

2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 103226975) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID103226975
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCNCC(COC)N(CC(C)C)C1CCCC1
InChIInChI=1S/C15H32N2O/c1-5-16-10-15(12-18-4)17(11-13(2)3)14-8-6-7-9-14/h13-16H,5-12H2,1-4H3
InChIKeySDSPUBRAXZQMKG-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227279
2-N-cyclopentyl-1-N,2-N-diethylpropane-1,2-diamine
CID 62421955
2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226991
1-N-ethyl-3-methoxy-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103225357
2-N-cyclopropyl-2-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62429365
1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103225017
1-N-ethyl-2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226137
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103225707
2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83054723
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine
CID 62430260
2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55074751
N-ethyl-3-methoxy-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503315

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine (CID 103226975) is 2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine is CCNCC(COC)N(CC(C)C)C1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is SDSPUBRAXZQMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-16-10-15(12-18-4)17(11-13(2)3)14-8-6-7-9-14/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine?
2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 103226975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).