N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine

C13H28N2O — CID 103071074

IUPACN-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C)CCOC(C)C
InChIInChI=1S/C13H28N2O/c1-6-7-14-10-13(4)11-15(5)8-9-16-12(2)3/h12,14H,4,6-11H2,1-3,5H3
InChIKeyBIFXLTCWHHDTAZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.90
Rot. Bonds10

About N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine

N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine (PubChem CID 103071074) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine
PubChem CID103071074
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C)CCOC(C)C
InChIInChI=1S/C13H28N2O/c1-6-7-14-10-13(4)11-15(5)8-9-16-12(2)3/h12,14H,4,6-11H2,1-3,5H3
InChIKeyBIFXLTCWHHDTAZ-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069520
1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol
CID 103070338
1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one
CID 81057198
N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 81074698
3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propan-1-ol
CID 81063408
N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81068895
2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069561
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069623
3-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]butanenitrile
CID 103070580
4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid
CID 81074467
N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 81067851

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine (CID 103071074) is N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine is C=C(CNCCC)CN(C)CCOC(C)C.
What is the InChIKey of N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine?
The InChIKey is BIFXLTCWHHDTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-7-14-10-13(4)11-15(5)8-9-16-12(2)3/h12,14H,4,6-11H2,1-3,5H3.
What are the key properties of N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine?
N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 103071074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).