N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine

C11H22N2O — CID 103069460

IUPACN,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine
SMILESC=C(CNC)CN(C)C1CCOCC1
InChIInChI=1S/C11H22N2O/c1-10(8-12-2)9-13(3)11-4-6-14-7-5-11/h11-12H,1,4-9H2,2-3H3
InChIKeyAOCUKMQKNVVKMN-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.87
Rot. Bonds5

About N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine

N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 103069460) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID103069460
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine
SMILESC=C(CNC)CN(C)C1CCOCC1
InChIInChI=1S/C11H22N2O/c1-10(8-12-2)9-13(3)11-4-6-14-7-5-11/h11-12H,1,4-9H2,2-3H3
InChIKeyAOCUKMQKNVVKMN-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine
CID 21034321
N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43765303
1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine
CID 43778538
N,N',2,2-tetramethyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 62256145
N-(2-methylprop-2-en-1-yl)oxan-4-amine
CID 62331163
N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine
CID 62561757
2-N-methyl-2-N-(oxan-4-yl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62568813
N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 64600680
N-(2-methylidenebutyl)oxan-4-amine
CID 66044496
1-(2-methylprop-2-enyl)-N-(oxan-4-yl)piperidin-4-amine
CID 71926596
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 103069461
N-ethyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine
CID 103069462

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine (CID 103069460) is N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine is C=C(CNC)CN(C)C1CCOCC1.
What is the InChIKey of N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is AOCUKMQKNVVKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(8-12-2)9-13(3)11-4-6-14-7-5-11/h11-12H,1,4-9H2,2-3H3.
What are the key properties of N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine?
N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 103069460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).