N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

C15H29N3O — CID 55089726

IUPACN'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCNCc1ccoc1)CCN(C)C
InChIInChI=1S/C15H29N3O/c1-14(2)12-18(9-8-17(3)4)7-6-16-11-15-5-10-19-13-15/h5,10,13-14,16H,6-9,11-12H2,1-4H3
InChIKeyQQPASANOQUPMMV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.89
Rot. Bonds10

About N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 55089726) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID55089726
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCNCc1ccoc1)CCN(C)C
InChIInChI=1S/C15H29N3O/c1-14(2)12-18(9-8-17(3)4)7-6-16-11-15-5-10-19-13-15/h5,10,13-14,16H,6-9,11-12H2,1-4H3
InChIKeyQQPASANOQUPMMV-UHFFFAOYSA-N
XLogP1.89
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.89
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'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
CID 62575992
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62561843
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089294
N-(furan-3-ylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554753
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
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)ethane-1,2-diamine
CID 62576103
N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450221
N-(furan-3-ylmethyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63864393
N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62554647
N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine
CID 102700858

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (CID 55089726) is N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCNCc1ccoc1)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is QQPASANOQUPMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-14(2)12-18(9-8-17(3)4)7-6-16-11-15-5-10-19-13-15/h5,10,13-14,16H,6-9,11-12H2,1-4H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 267.42 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 55089726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).