N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine

C13H26N2O — CID 82753838

IUPACN-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCN(CCCNC1CCCC1)C1CCOC1
InChIInChI=1S/C13H26N2O/c1-15(13-7-10-16-11-13)9-4-8-14-12-5-2-3-6-12/h12-14H,2-11H2,1H3
InChIKeyIDINIBUEERPYFD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds6

About N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine

N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine (PubChem CID 82753838) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
PubChem CID82753838
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCN(CCCNC1CCCC1)C1CCOC1
InChIInChI=1S/C13H26N2O/c1-15(13-7-10-16-11-13)9-4-8-14-12-5-2-3-6-12/h12-14H,2-11H2,1H3
InChIKeyIDINIBUEERPYFD-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

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754007
N-(3-chloropropyl)-N-methyloxolan-3-amine
CID 82747859
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
N-butyl-N-methyloxolan-3-amine
CID 154189060
N'-methyl-N'-(oxolan-3-yl)-N-propan-2-ylpentane-1,5-diamine
CID 82754082
N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 63098109
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82753744
N-(9-bromononyl)-N-methyloxolan-3-amine
CID 105343849
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917
N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
CID 65083055

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine (CID 82753838) is N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine is CN(CCCNC1CCCC1)C1CCOC1.
What is the InChIKey of N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The InChIKey is IDINIBUEERPYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(13-7-10-16-11-13)9-4-8-14-12-5-2-3-6-12/h12-14H,2-11H2,1H3.
What are the key properties of N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine?
N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-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 N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 82753838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).