N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine

C10H18N2O — CID 62560326

IUPACN-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCc1ccoc1
InChIInChI=1S/C10H18N2O/c1-9(2)12-5-4-11-7-10-3-6-13-8-10/h3,6,8-9,11-12H,4-5,7H2,1-2H3
InChIKeyDIKGGHCGPBCNSB-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.37
Rot. Bonds6

About N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine

N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62560326) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID62560326
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCc1ccoc1
InChIInChI=1S/C10H18N2O/c1-9(2)12-5-4-11-7-10-3-6-13-8-10/h3,6,8-9,11-12H,4-5,7H2,1-2H3
InChIKeyDIKGGHCGPBCNSB-UHFFFAOYSA-N
XLogP1.37
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine
CID 102700858
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450221
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55089726
(2S)-2-(furan-3-ylmethylamino)propan-1-ol
CID 103773853
N-(furan-3-ylmethyl)-2-methylpentan-3-amine
CID 63000846
5-(furan-3-ylmethylamino)pentanenitrile
CID 115611430
N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63982151
1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one
CID 80582315
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
N-(furan-3-ylmethyl)-5-methylhexan-2-amine
CID 62997685

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine (CID 62560326) is N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is DIKGGHCGPBCNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)12-5-4-11-7-10-3-6-13-8-10/h3,6,8-9,11-12H,4-5,7H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62560326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).