N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

C17H24N2O — CID 171442310

IUPACN'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN(C)C)Cc2ccccc2)o1
InChIInChI=1S/C17H24N2O/c1-15-9-10-17(20-15)14-19(12-11-18(2)3)13-16-7-5-4-6-8-16/h4-10H,11-14H2,1-3H3
InChIKeyDWWGBKLTYNMYMM-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.15
Rot. Bonds7

About N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 171442310) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID171442310
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN(C)C)Cc2ccccc2)o1
InChIInChI=1S/C17H24N2O/c1-15-9-10-17(20-15)14-19(12-11-18(2)3)13-16-7-5-4-6-8-16/h4-10H,11-14H2,1-3H3
InChIKeyDWWGBKLTYNMYMM-UHFFFAOYSA-N
XLogP3.15
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
CID 112842027
(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161816
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 43818351
1-[3-methylbutyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-2-ol
CID 46007121
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran
CID 112686122
N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20628585
2-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]phenol;oxalic acid
CID 126468036
3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile
CID 20628499
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007114
1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone
CID 162741048

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (CID 171442310) is N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is Cc1ccc(CN(CCN(C)C)Cc2ccccc2)o1.
What is the InChIKey of N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is DWWGBKLTYNMYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-15-9-10-17(20-15)14-19(12-11-18(2)3)13-16-7-5-4-6-8-16/h4-10H,11-14H2,1-3H3.
What are the key properties of N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 171442310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).