2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine

C12H28N2O — CID 62558502

IUPAC2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
SMILESCCCCN(C)C(C)CNCCCOC
InChIInChI=1S/C12H28N2O/c1-5-6-9-14(3)12(2)11-13-8-7-10-15-4/h12-13H,5-11H2,1-4H3
InChIKeyUOZRIDAQSVFHAZ-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds10

About 2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine

2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine (PubChem CID 62558502) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
PubChem CID62558502
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
SMILESCCCCN(C)C(C)CNCCCOC
InChIInChI=1S/C12H28N2O/c1-5-6-9-14(3)12(2)11-13-8-7-10-15-4/h12-13H,5-11H2,1-4H3
InChIKeyUOZRIDAQSVFHAZ-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
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

1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63008673
2-N-(3-methoxypropyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63008851
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 62568786
2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 63008518
N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62555171
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136
1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62557319
2-N-butan-2-yl-1-N-butyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 55087275
2-N-cyclopropyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569883
N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
CID 62570404
1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63966558
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine (CID 62558502) is 2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine is CCCCN(C)C(C)CNCCCOC.
What is the InChIKey of 2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is UOZRIDAQSVFHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-6-9-14(3)12(2)11-13-8-7-10-15-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 216.37 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 2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62558502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).