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

C13H26N2O — CID 103069461

IUPACN-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(C)C1CCOCC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-9-12(3)10-15(4)13-5-7-16-8-6-13/h11,13-14H,3,5-10H2,1-2,4H3
InChIKeyMDFJYARMYHZWIA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds6

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

N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103069461) 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'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103069461
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(C)C1CCOCC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-9-12(3)10-15(4)13-5-7-16-8-6-13/h11,13-14H,3,5-10H2,1-2,4H3
InChIKeyMDFJYARMYHZWIA-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': '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-methyl-2-methylidenebutyl)oxan-4-amine
CID 169820049
N-[3-(dimethylamino)-2,2-dimethylpropyl]oxan-4-amine
CID 43608358
N-[3-(diethylamino)propyl]oxan-4-amine
CID 43608427
N-[3-(dimethylamino)propyl]oxan-4-amine
CID 43608439
N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43765303
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43769589
1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine
CID 43778538
N,2,2-trimethyl-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 55051347
N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 60850649
N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine
CID 60853648
N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 61387223

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine (CID 103069461) is N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine is C=C(CNC(C)C)CN(C)C1CCOCC1.
What is the InChIKey of N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is MDFJYARMYHZWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-9-12(3)10-15(4)13-5-7-16-8-6-13/h11,13-14H,3,5-10H2,1-2,4H3.
What are the key properties of N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine?
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 6 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'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103069461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).