1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine

C13H30N2O — CID 63966558

IUPAC1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCC(C)(C)N(C)C(C)CNCCCOC
InChIInChI=1S/C13H30N2O/c1-7-13(3,4)15(5)12(2)11-14-9-8-10-16-6/h12,14H,7-11H2,1-6H3
InChIKeyMINKNAZBADOOEH-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds9

About 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine

1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine (PubChem CID 63966558) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
PubChem CID63966558
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCC(C)(C)N(C)C(C)CNCCCOC
InChIInChI=1S/C13H30N2O/c1-7-13(3,4)15(5)12(2)11-14-9-8-10-16-6/h12,14H,7-11H2,1-6H3
InChIKeyMINKNAZBADOOEH-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
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

2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine
CID 63964791
2-N-cyclopropyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569883
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63982714
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62557645
2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine
CID 62569230
1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine
CID 62567966
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030
N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 62577772
6-methoxy-3,3-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 81033785
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine (CID 63966558) is 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine is CCC(C)(C)N(C)C(C)CNCCCOC.
What is the InChIKey of 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The InChIKey is MINKNAZBADOOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-13(3,4)15(5)12(2)11-14-9-8-10-16-6/h12,14H,7-11H2,1-6H3.
What are the key properties of 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine?
1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 63966558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).