N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine

C14H25N3O — CID 62576103

IUPACN-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)CCNCc2ccoc2)CC1
InChIInChI=1S/C14H25N3O/c1-16-7-3-14(4-8-16)17(2)9-6-15-11-13-5-10-18-12-13/h5,10,12,14-15H,3-4,6-9,11H2,1-2H3
InChIKeyCVEAHOXGFZSHJL-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.40
Rot. Bonds6

About N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine

N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 62576103) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID62576103
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)CCNCc2ccoc2)CC1
InChIInChI=1S/C14H25N3O/c1-16-7-3-14(4-8-16)17(2)9-6-15-11-13-5-10-18-12-13/h5,10,12,14-15H,3-4,6-9,11H2,1-2H3
InChIKeyCVEAHOXGFZSHJL-UHFFFAOYSA-N
XLogP1.40
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 62559702
N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 55175004
N-(furan-3-ylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754097
1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 55160308
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
N-(furan-3-ylmethyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63864393
N-(furan-3-ylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554753
N'-cyclopropyl-N'-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62977755
N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62977559
2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 79183774
N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
CID 66408114
N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
CID 62575992

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (CID 62576103) is N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is CN1CCC(N(C)CCNCc2ccoc2)CC1.
What is the InChIKey of N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is CVEAHOXGFZSHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16-7-3-14(4-8-16)17(2)9-6-15-11-13-5-10-18-12-13/h5,10,12,14-15H,3-4,6-9,11H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 251.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62576103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).