1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine

C13H28N2O — CID 103225619

IUPAC1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine
SMILESCCC(C)CN(C)C(CNC1CC1)COC
InChIInChI=1S/C13H28N2O/c1-5-11(2)9-15(3)13(10-16-4)8-14-12-6-7-12/h11-14H,5-10H2,1-4H3
InChIKeyKBAAILYBQIHZNR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds9

About 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine

1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine (PubChem CID 103225619) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine
PubChem CID103225619
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine
SMILESCCC(C)CN(C)C(CNC1CC1)COC
InChIInChI=1S/C13H28N2O/c1-5-11(2)9-15(3)13(10-16-4)8-14-12-6-7-12/h11-14H,5-10H2,1-4H3
InChIKeyKBAAILYBQIHZNR-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

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Related Compounds

1-N-cyclopropyl-2-N-methyl-2-N-(2-methylbutyl)pentane-1,2-diamine
CID 83054076
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-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine
CID 103225416
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diamine
CID 103227237
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine
CID 103225626
1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227378
1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103225017
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine
CID 103226668
1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 79482589
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
1-N,2-N-dicyclopropyl-2-N-(cyclopropylmethyl)-3-methoxypropane-1,2-diamine
CID 103226758

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine (CID 103225619) is 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine is CCC(C)CN(C)C(CNC1CC1)COC.
What is the InChIKey of 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine?
The InChIKey is KBAAILYBQIHZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-11(2)9-15(3)13(10-16-4)8-14-12-6-7-12/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine?
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 103225619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).