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

C14H26N2O — CID 62569525

IUPAC2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCNCC(C)N(C)Cc1ccco1
InChIInChI=1S/C14H26N2O/c1-12(2)7-8-15-10-13(3)16(4)11-14-6-5-9-17-14/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3
InChIKeyDQUTYUWQJFNWQV-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.74
Rot. Bonds8

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

2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine (PubChem CID 62569525) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
PubChem CID62569525
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCNCC(C)N(C)Cc1ccco1
InChIInChI=1S/C14H26N2O/c1-12(2)7-8-15-10-13(3)16(4)11-14-6-5-9-17-14/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3
InChIKeyDQUTYUWQJFNWQV-UHFFFAOYSA-N
XLogP2.74
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.74
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

2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569524
4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 62420064
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
3-N-(furan-2-ylmethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011655
1-N-cyclopentyl-2-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569713
1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine
CID 62420435
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62420801
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine
CID 62461756
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 55226797
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804

Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine (CID 62569525) is 2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine is CC(C)CCNCC(C)N(C)Cc1ccco1.
What is the InChIKey of 2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine?
The InChIKey is DQUTYUWQJFNWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)7-8-15-10-13(3)16(4)11-14-6-5-9-17-14/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3.
What are the key properties of 2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine?
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 62569525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).