N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine

C14H28N2O — CID 62562032

IUPACN-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCNC1CCCC1)C1CC1
InChIInChI=1S/C14H28N2O/c1-17-12-11-16(14-7-8-14)10-4-9-15-13-5-2-3-6-13/h13-15H,2-12H2,1H3
InChIKeyLHOIKEWIRHCDPE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds9

About N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine

N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 62562032) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID62562032
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCNC1CCCC1)C1CC1
InChIInChI=1S/C14H28N2O/c1-17-12-11-16(14-7-8-14)10-4-9-15-13-5-2-3-6-13/h13-15H,2-12H2,1H3
InChIKeyLHOIKEWIRHCDPE-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
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,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
CID 62434695
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991158
3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol
CID 149152663
N'-cyclopropyl-N'-(2-methoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62553966
N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62562576
N-cyclohexyl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62575118
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 114762995
N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62437351
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N'-cyclopropyl-N-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451815
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine (CID 62562032) is N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine is COCCN(CCCNC1CCCC1)C1CC1.
What is the InChIKey of N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is LHOIKEWIRHCDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-17-12-11-16(14-7-8-14)10-4-9-15-13-5-2-3-6-13/h13-15H,2-12H2,1H3.
What are the key properties of N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine?
N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 62562032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).