N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine

C13H26N2O — CID 103069465

IUPACN-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C)C1CCOCC1
InChIInChI=1S/C13H26N2O/c1-4-7-14-10-12(2)11-15(3)13-5-8-16-9-6-13/h13-14H,2,4-11H2,1,3H3
InChIKeyBLNIWULYYXPDPY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds7

About N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine

N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine (PubChem CID 103069465) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine
PubChem CID103069465
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C)C1CCOCC1
InChIInChI=1S/C13H26N2O/c1-4-7-14-10-12(2)11-15(3)13-5-8-16-9-6-13/h13-14H,2,4-11H2,1,3H3
InChIKeyBLNIWULYYXPDPY-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
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

N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069022
N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
CID 62431846
N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 103068902
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine
CID 62258237
N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
CID 62560454
1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 104744921
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
CID 62434020
2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069520
2-methylidene-N-(oxan-4-ylmethyl)butan-1-amine
CID 66045472
2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine
CID 83054828
ethyl 2-[methyl(oxan-4-yl)amino]acetate
CID 43611424
N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103071030

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine (CID 103069465) is N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine is C=C(CNCCC)CN(C)C1CCOCC1.
What is the InChIKey of N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is BLNIWULYYXPDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-7-14-10-12(2)11-15(3)13-5-8-16-9-6-13/h13-14H,2,4-11H2,1,3H3.
What are the key properties of N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine?
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 7 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-(oxan-4-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 103069465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).