N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine

C13H28N2O — CID 62563452

IUPACN'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCOCCNCCCN(CC1CC1)C(C)C
InChIInChI=1S/C13H28N2O/c1-12(2)15(11-13-5-6-13)9-4-7-14-8-10-16-3/h12-14H,4-11H2,1-3H3
InChIKeyLOUWMROZTNMQPE-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds10

About N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine

N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62563452) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62563452
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCOCCNCCCN(CC1CC1)C(C)C
InChIInChI=1S/C13H28N2O/c1-12(2)15(11-13-5-6-13)9-4-7-14-8-10-16-3/h12-14H,4-11H2,1-3H3
InChIKeyLOUWMROZTNMQPE-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62413388
N'-ethyl-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62569840
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103411120
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-propan-2-ylethane-1,2-diamine
CID 82952747
N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine
CID 63027895
N-[2-(3-methoxypropoxy)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045565
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276040
N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62556874
[2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane
CID 120717956
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine (CID 62563452) is N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine is COCCNCCCN(CC1CC1)C(C)C.
What is the InChIKey of N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is LOUWMROZTNMQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)15(11-13-5-6-13)9-4-7-14-8-10-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62563452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).