3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine

C10H18N2O — CID 61421973

IUPAC3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)Cc1ccoc1
InChIInChI=1S/C10H18N2O/c1-9(3-5-11)12(2)7-10-4-6-13-8-10/h4,6,8-9H,3,5,7,11H2,1-2H3
InChIKeyIPZOVWQLLLTOMW-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.45
Rot. Bonds5

About 3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine

3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine (PubChem CID 61421973) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
PubChem CID61421973
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)Cc1ccoc1
InChIInChI=1S/C10H18N2O/c1-9(3-5-11)12(2)7-10-4-6-13-8-10/h4,6,8-9H,3,5,7,11H2,1-2H3
InChIKeyIPZOVWQLLLTOMW-UHFFFAOYSA-N
XLogP1.45
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 104710880
3-N-[(3,5-difluorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 105402870
1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 62071760
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 61422487
2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine
CID 83055029
3-N-[(3-chlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 61413472
2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072234
N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine
CID 67959325
4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66431862
1-(3,5-dichlorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61421444
2-[furan-3-ylmethyl(methyl)amino]butanehydrazide
CID 63584965
1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 61422954

Frequently Asked Questions

What is the IUPAC name of 3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine (CID 61421973) is 3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine is CC(CCN)N(C)Cc1ccoc1.
What is the InChIKey of 3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is IPZOVWQLLLTOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(3-5-11)12(2)7-10-4-6-13-8-10/h4,6,8-9H,3,5,7,11H2,1-2H3.
What are the key properties of 3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine?
3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 61421973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).