2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine

C11H22N2O — CID 63008518

IUPAC2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
SMILESC#CCNCC(C)N(C)CCCOC
InChIInChI=1S/C11H22N2O/c1-5-7-12-10-11(2)13(3)8-6-9-14-4/h1,11-12H,6-10H2,2-4H3
InChIKeyCFOISWSAAUFONI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.57
Rot. Bonds8

About 2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine

2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine (PubChem CID 63008518) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
PubChem CID63008518
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
SMILESC#CCNCC(C)N(C)CCCOC
InChIInChI=1S/C11H22N2O/c1-5-7-12-10-11(2)13(3)8-6-9-14-4/h1,11-12H,6-10H2,2-4H3
InChIKeyCFOISWSAAUFONI-UHFFFAOYSA-N
XLogP0.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62569259
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
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63009569
1-N-cyclohexyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63007613
4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63007950
2-N-(2-methoxyethyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62447079
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62856951
N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine
CID 62560907
1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63208838
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine (CID 63008518) is 2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine is C#CCNCC(C)N(C)CCCOC.
What is the InChIKey of 2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
The InChIKey is CFOISWSAAUFONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-7-12-10-11(2)13(3)8-6-9-14-4/h1,11-12H,6-10H2,2-4H3.
What are the key properties of 2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine is sourced from PubChem (CID 63008518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).