N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine

C16H29N3O — CID 62554630

IUPACN'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
SMILESCCN1CCC(N(C)CCNC(C)c2ccco2)CC1
InChIInChI=1S/C16H29N3O/c1-4-19-10-7-15(8-11-19)18(3)12-9-17-14(2)16-6-5-13-20-16/h5-6,13-15,17H,4,7-12H2,1-3H3
InChIKeyWGAWOYCDKZRCCH-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.35
Rot. Bonds7

About N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine

N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 62554630) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID62554630
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
SMILESCCN1CCC(N(C)CCNC(C)c2ccco2)CC1
InChIInChI=1S/C16H29N3O/c1-4-19-10-7-15(8-11-19)18(3)12-9-17-14(2)16-6-5-13-20-16/h5-6,13-15,17H,4,7-12H2,1-3H3
InChIKeyWGAWOYCDKZRCCH-UHFFFAOYSA-N
XLogP2.35
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopentyl-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 55138698
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 62560272
1-[2-[1-(furan-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 62561360
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62560734
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62557602
N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62557968
N-[(4-ethylmorpholin-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79164854
N-(2-cyclopentylethyl)-1-(furan-2-yl)ethanamine
CID 60919683
N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 62575573
N'-cyclopropyl-N-[4-(furan-2-yl)butan-2-yl]-N'-methylethane-1,2-diamine
CID 55142379
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62556302
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine (CID 62554630) is N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine is CCN1CCC(N(C)CCNC(C)c2ccco2)CC1.
What is the InChIKey of N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is WGAWOYCDKZRCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-19-10-7-15(8-11-19)18(3)12-9-17-14(2)16-6-5-13-20-16/h5-6,13-15,17H,4,7-12H2,1-3H3.
What are the key properties of N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine?
N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62554630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).