4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine

C13H24N2O — CID 83182973

IUPAC4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(C)C)Cc1ccoc1
InChIInChI=1S/C13H24N2O/c1-4-7-14-13(5-8-15(2)3)10-12-6-9-16-11-12/h6,9,11,13-14H,4-5,7-8,10H2,1-3H3
InChIKeyUKJKABIODXFVDD-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.14
Rot. Bonds8

About 4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine

4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine (PubChem CID 83182973) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
PubChem CID83182973
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(C)C)Cc1ccoc1
InChIInChI=1S/C13H24N2O/c1-4-7-14-13(5-8-15(2)3)10-12-6-9-16-11-12/h6,9,11,13-14H,4-5,7-8,10H2,1-3H3
InChIKeyUKJKABIODXFVDD-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291375
4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291352
4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 82922479
1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 83175808
1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 105030163
1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83176061
1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine
CID 105030039
N-ethyl-1-(furan-3-yl)undecan-2-amine
CID 105030187
1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 83176126
1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83175659
4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093417
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine (CID 83182973) is 4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine is CCCNC(CCN(C)C)Cc1ccoc1.
What is the InChIKey of 4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is UKJKABIODXFVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-7-14-13(5-8-15(2)3)10-12-6-9-16-11-12/h6,9,11,13-14H,4-5,7-8,10H2,1-3H3.
What are the key properties of 4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 83182973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).