1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine

C15H34N2O — CID 107505330

IUPAC1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
SMILESCCCCN(CCCC)CC(COC)NCCC
InChIInChI=1S/C15H34N2O/c1-5-8-11-17(12-9-6-2)13-15(14-18-4)16-10-7-3/h15-16H,5-14H2,1-4H3
InChIKeyNILBCURABPFZJH-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.90
Rot. Bonds13

About 1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine

1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine (PubChem CID 107505330) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
PubChem CID107505330
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
SMILESCCCCN(CCCC)CC(COC)NCCC
InChIInChI=1S/C15H34N2O/c1-5-8-11-17(12-9-6-2)13-15(14-18-4)16-10-7-3/h15-16H,5-14H2,1-4H3
InChIKeyNILBCURABPFZJH-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505371
1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505592
1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine
CID 62040984
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
4-[butyl(ethyl)amino]-3-(propylamino)butan-1-ol
CID 64897316
1-N-(3,3-dimethylbutan-2-yl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505584
1-N-cyclobutyl-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505949
1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 107505531
1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505386
1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine
CID 107758651
N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine
CID 63503379

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine (CID 107505330) is 1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine is CCCCN(CCCC)CC(COC)NCCC.
What is the InChIKey of 1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine?
The InChIKey is NILBCURABPFZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-5-8-11-17(12-9-6-2)13-15(14-18-4)16-10-7-3/h15-16H,5-14H2,1-4H3.
What are the key properties of 1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine?
1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine has a molecular weight of 258.45 g/mol, XLogP of 2.90, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 107505330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).