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

C14H28N2O — CID 103069740

IUPACN-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C)CC1CCCCO1
InChIInChI=1S/C14H28N2O/c1-4-8-15-10-13(2)11-16(3)12-14-7-5-6-9-17-14/h14-15H,2,4-12H2,1,3H3
InChIKeyJCGMFUYMKXYXJQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds8

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

N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine (PubChem CID 103069740) 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'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
PubChem CID103069740
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C)CC1CCCCO1
InChIInChI=1S/C14H28N2O/c1-4-8-15-10-13(2)11-16(3)12-14-7-5-6-9-17-14/h14-15H,2,4-12H2,1,3H3
InChIKeyJCGMFUYMKXYXJQ-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N~1~-Ethyl-N~3~-[(oxan-2-yl)methyl]propane-1,3-diamine
CID 62834649
N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43403618
N-(oxan-2-ylmethyl)prop-2-en-1-amine
CID 43403620
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
N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591802
N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591812
N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 43591813
1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 55014331
N'-methyl-N'-(oxan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 55073779
N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 61431413
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine (CID 103069740) is N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine is C=C(CNCCC)CN(C)CC1CCCCO1.
What is the InChIKey of N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
The InChIKey is JCGMFUYMKXYXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-8-15-10-13(2)11-16(3)12-14-7-5-6-9-17-14/h14-15H,2,4-12H2,1,3H3.
What are the key properties of N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
N-methyl-2-methylidene-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 8 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'-propylpropane-1,3-diamine is sourced from PubChem (CID 103069740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).