N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine

C16H34N2O — CID 62562576

IUPACN-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
SMILESCCC(CC)N(CCCNC1CCCC1)CCOC
InChIInChI=1S/C16H34N2O/c1-4-16(5-2)18(13-14-19-3)12-8-11-17-15-9-6-7-10-15/h15-17H,4-14H2,1-3H3
InChIKeyIIZLYEUXQNWFEG-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.05
Rot. Bonds11

About N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine

N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine (PubChem CID 62562576) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
PubChem CID62562576
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
SMILESCCC(CC)N(CCCNC1CCCC1)CCOC
InChIInChI=1S/C16H34N2O/c1-4-16(5-2)18(13-14-19-3)12-8-11-17-15-9-6-7-10-15/h15-17H,4-14H2,1-3H3
InChIKeyIIZLYEUXQNWFEG-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine?
The IUPAC name of N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine (CID 62562576) is N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine?
The canonical SMILES for N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine is CCC(CC)N(CCCNC1CCCC1)CCOC.
What is the InChIKey of N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine?
The InChIKey is IIZLYEUXQNWFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-16(5-2)18(13-14-19-3)12-8-11-17-15-9-6-7-10-15/h15-17H,4-14H2,1-3H3.
What are the key properties of N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine?
N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine has a molecular weight of 270.46 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine is sourced from PubChem (CID 62562576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).