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

C15H27N3O — CID 55175004

IUPACN-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCN1CCC(CN(C)CCNCc2ccoc2)CC1
InChIInChI=1S/C15H27N3O/c1-17-7-3-14(4-8-17)12-18(2)9-6-16-11-15-5-10-19-13-15/h5,10,13-14,16H,3-4,6-9,11-12H2,1-2H3
InChIKeyHLCBHMLRVXJOTP-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.64
Rot. Bonds7

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

N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine (PubChem CID 55175004) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
PubChem CID55175004
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCN1CCC(CN(C)CCNCc2ccoc2)CC1
InChIInChI=1S/C15H27N3O/c1-17-7-3-14(4-8-17)12-18(2)9-6-16-11-15-5-10-19-13-15/h5,10,13-14,16H,3-4,6-9,11-12H2,1-2H3
InChIKeyHLCBHMLRVXJOTP-UHFFFAOYSA-N
XLogP1.64
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.64
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'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62576103
N-(furan-3-ylmethyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63864393
N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 62559702
1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 55160308
N-(furan-3-ylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754097
N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62558621
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 63274981
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63234363
2-(2-ethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 62573323
N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62555017
N-(3-methoxypropyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63234739
N-(furan-3-ylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554753

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine (CID 55175004) is N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine is CN1CCC(CN(C)CCNCc2ccoc2)CC1.
What is the InChIKey of N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is HLCBHMLRVXJOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-17-7-3-14(4-8-17)12-18(2)9-6-16-11-15-5-10-19-13-15/h5,10,13-14,16H,3-4,6-9,11-12H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.64, 7 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)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55175004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).