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

C14H28N2O — CID 103069736

IUPACN-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(C)CC1CCCCO1
InChIInChI=1S/C14H28N2O/c1-12(2)15-9-13(3)10-16(4)11-14-7-5-6-8-17-14/h12,14-15H,3,5-11H2,1-2,4H3
InChIKeyZXWBSKCQUNOGPO-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds7

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

N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103069736) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103069736
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(C)CC1CCCCO1
InChIInChI=1S/C14H28N2O/c1-12(2)15-9-13(3)10-16(4)11-14-7-5-6-8-17-14/h12,14-15H,3,5-11H2,1-2,4H3
InChIKeyZXWBSKCQUNOGPO-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine (CID 103069736) is N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine is C=C(CNC(C)C)CN(C)CC1CCCCO1.
What is the InChIKey of N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is ZXWBSKCQUNOGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)15-9-13(3)10-16(4)11-14-7-5-6-8-17-14/h12,14-15H,3,5-11H2,1-2,4H3.
What are the key properties of N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine?
N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 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-2-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103069736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).