N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine

C13H24N2O — CID 62420801

IUPACN'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCCCN(C)Cc1ccco1
InChIInChI=1S/C13H24N2O/c1-12(2)10-14-7-5-8-15(3)11-13-6-4-9-16-13/h4,6,9,12,14H,5,7-8,10-11H2,1-3H3
InChIKeySIIIGOPMDNYJFB-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.35
Rot. Bonds8

About N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine

N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62420801) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
PubChem CID62420801
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCCCN(C)Cc1ccco1
InChIInChI=1S/C13H24N2O/c1-12(2)10-14-7-5-8-15(3)11-13-6-4-9-16-13/h4,6,9,12,14H,5,7-8,10-11H2,1-3H3
InChIKeySIIIGOPMDNYJFB-UHFFFAOYSA-N
XLogP2.35
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
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-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 55089694
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
3-N-(furan-2-ylmethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011655
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62569525
N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62436074
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
CID 105343610
5-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62445231
N'-methyl-N-(2-methylpropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62433942

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine (CID 62420801) is N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine is CC(C)CNCCCN(C)Cc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is SIIIGOPMDNYJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2)10-14-7-5-8-15(3)11-13-6-4-9-16-13/h4,6,9,12,14H,5,7-8,10-11H2,1-3H3.
What are the key properties of N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine?
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62420801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).