1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine

C13H26N2O — CID 103226668

IUPAC1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine
SMILESCCN(CC1CC1)C(CNC1CC1)COC
InChIInChI=1S/C13H26N2O/c1-3-15(9-11-4-5-11)13(10-16-2)8-14-12-6-7-12/h11-14H,3-10H2,1-2H3
InChIKeyNWCYIZAWHWQYIY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds9

About 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine

1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine (PubChem CID 103226668) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine
PubChem CID103226668
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine
SMILESCCN(CC1CC1)C(CNC1CC1)COC
InChIInChI=1S/C13H26N2O/c1-3-15(9-11-4-5-11)13(10-16-2)8-14-12-6-7-12/h11-14H,3-10H2,1-2H3
InChIKeyNWCYIZAWHWQYIY-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-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

1-N,2-N-dicyclopropyl-2-N-(cyclopropylmethyl)-3-methoxypropane-1,2-diamine
CID 103226758
1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine
CID 103225416
2-N-butan-2-yl-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225506
1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227020
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine
CID 62428340
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 103225619
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine
CID 103225626
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine
CID 62429335
4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine
CID 107402945
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diamine
CID 103227237
1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103225017
1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227378

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine (CID 103226668) is 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine is CCN(CC1CC1)C(CNC1CC1)COC.
What is the InChIKey of 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine?
The InChIKey is NWCYIZAWHWQYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-15(9-11-4-5-11)13(10-16-2)8-14-12-6-7-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine?
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine is sourced from PubChem (CID 103226668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).