N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C14H27N3O — CID 62436717

IUPACN'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1cc(CN)c(C)o1
InChIInChI=1S/C14H27N3O/c1-5-6-17(8-7-16(3)4)11-14-9-13(10-15)12(2)18-14/h9H,5-8,10-11,15H2,1-4H3
InChIKeyLUNHJEYANKDRQU-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.82
Rot. Bonds8

About N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 62436717) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID62436717
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1cc(CN)c(C)o1
InChIInChI=1S/C14H27N3O/c1-5-6-17(8-7-16(3)4)11-14-9-13(10-15)12(2)18-14/h9H,5-8,10-11,15H2,1-4H3
InChIKeyLUNHJEYANKDRQU-UHFFFAOYSA-N
XLogP1.82
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine
CID 62436880
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82952579
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine
CID 62420758
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine
CID 62436655
N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62437052
N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63289416
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
CID 62417372
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcyclohexanamine
CID 62424073
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcycloheptanamine
CID 55073900
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-propylcyclopropanamine
CID 62422354
N,N,N'-trimethyl-N'-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 55228334
4-[(dipropylamino)methyl]-5-methylfuran-2-carbonyl chloride
CID 39260612

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 62436717) is N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)Cc1cc(CN)c(C)o1.
What is the InChIKey of N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is LUNHJEYANKDRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-6-17(8-7-16(3)4)11-14-9-13(10-15)12(2)18-14/h9H,5-8,10-11,15H2,1-4H3.
What are the key properties of N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 253.39 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62436717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).