N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C13H25N3O — CID 62437052

IUPACN'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1cc(CN)co1
InChIInChI=1S/C13H25N3O/c1-4-5-16(7-6-15(2)3)10-13-8-12(9-14)11-17-13/h8,11H,4-7,9-10,14H2,1-3H3
InChIKeyWOCXKWLBHNLXLV-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.51
Rot. Bonds8

About N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 62437052) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID62437052
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1cc(CN)co1
InChIInChI=1S/C13H25N3O/c1-4-5-16(7-6-15(2)3)10-13-8-12(9-14)11-17-13/h8,11H,4-7,9-10,14H2,1-3H3
InChIKeyWOCXKWLBHNLXLV-UHFFFAOYSA-N
XLogP1.51
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 62421990
N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436717
N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine
CID 81067939
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422969
N-[[5-[(dipropylamino)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62438391
N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline
CID 62435627
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112665740
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline
CID 55074123
N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 141138330
N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62427375
N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63289416
N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine
CID 62436880

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 62437052) is N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)Cc1cc(CN)co1.
What is the InChIKey of N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is WOCXKWLBHNLXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-5-16(7-6-15(2)3)10-13-8-12(9-14)11-17-13/h8,11H,4-7,9-10,14H2,1-3H3.
What are the key properties of N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 239.36 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62437052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).