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

C13H22N2O — CID 103069682

IUPACN-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C)Cc1ccoc1
InChIInChI=1S/C13H22N2O/c1-4-6-14-8-12(2)9-15(3)10-13-5-7-16-11-13/h5,7,11,14H,2,4,6,8-10H2,1,3H3
InChIKeySQNHRYIFTRMGHE-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.27
Rot. Bonds8

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

N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine (PubChem CID 103069682) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
PubChem CID103069682
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C)Cc1ccoc1
InChIInChI=1S/C13H22N2O/c1-4-6-14-8-12(2)9-15(3)10-13-5-7-16-11-13/h5,7,11,14H,2,4,6,8-10H2,1,3H3
InChIKeySQNHRYIFTRMGHE-UHFFFAOYSA-N
XLogP2.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.27
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

2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073397
N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069623
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380
1-(furan-3-yl)-3-(propylamino)propan-2-one
CID 116562918
2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine
CID 83055029
4-fluoro-N-(furan-3-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 61422704
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80728052
N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62557516
N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
CID 103069146
N-(furan-3-ylmethyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 55059703
2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069520
1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 61422954

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine (CID 103069682) is N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine is C=C(CNCCC)CN(C)Cc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine?
The InChIKey is SQNHRYIFTRMGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-14-8-12(2)9-15(3)10-13-5-7-16-11-13/h5,7,11,14H,2,4,6,8-10H2,1,3H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine?
N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 103069682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).