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

C12H24N2O — CID 103069735

IUPACN,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESC=C(CNC)CN(C)CC1CCCCO1
InChIInChI=1S/C12H24N2O/c1-11(8-13-2)9-14(3)10-12-6-4-5-7-15-12/h12-13H,1,4-10H2,2-3H3
InChIKeyDQSXFEWMIRKIRP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds6

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

N,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine (PubChem CID 103069735) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine
PubChem CID103069735
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESC=C(CNC)CN(C)CC1CCCCO1
InChIInChI=1S/C12H24N2O/c1-11(8-13-2)9-14(3)10-12-6-4-5-7-15-12/h12-13H,1,4-10H2,2-3H3
InChIKeyDQSXFEWMIRKIRP-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
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',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43403618
N',N'-diethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43403647
N,N,2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43403665
1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 55014331
N,N'-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 61436348
N'-methyl-N'-(oxan-2-ylmethyl)-N-propylpropane-1,3-diamine
CID 61436350
N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 61436351
N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62256951
N,N',2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62256952
N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62256953
2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine
CID 62331543
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]prop-2-en-1-amine
CID 62418405

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine (CID 103069735) is N,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine is C=C(CNC)CN(C)CC1CCCCO1.
What is the InChIKey of N,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is DQSXFEWMIRKIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(8-13-2)9-14(3)10-12-6-4-5-7-15-12/h12-13H,1,4-10H2,2-3H3.
What are the key properties of N,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
N,N'-dimethyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 6 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-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 103069735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).