N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine

C17H24N2O — CID 83969290

IUPACN'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine
SMILESCc1ccc(CN(CCCCN)Cc2ccco2)cc1
InChIInChI=1S/C17H24N2O/c1-15-6-8-16(9-7-15)13-19(11-3-2-10-18)14-17-5-4-12-20-17/h4-9,12H,2-3,10-11,13-14,18H2,1H3
InChIKeyLKMVYBQIMRDYPC-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.33
Rot. Bonds8

About N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine

N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine (PubChem CID 83969290) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine
PubChem CID83969290
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine
SMILESCc1ccc(CN(CCCCN)Cc2ccco2)cc1
InChIInChI=1S/C17H24N2O/c1-15-6-8-16(9-7-15)13-19(11-3-2-10-18)14-17-5-4-12-20-17/h4-9,12H,2-3,10-11,13-14,18H2,1H3
InChIKeyLKMVYBQIMRDYPC-UHFFFAOYSA-N
XLogP3.33
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
N'-but-3-ynyl-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
CID 141230822
(E)-N-butyl-N'-[3-[4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]butyl]-5-methoxyphenyl]-N'-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]hept-2-ene-1,7-diamine
CID 155056794
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62461578
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
CID 46983650
3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613649
N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine
CID 142934657
N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 28771280
1-(furan-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43211734
4-[[butyl(furan-2-ylmethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid
CID 18361003
9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
CID 105343610

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine (CID 83969290) is N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine is Cc1ccc(CN(CCCCN)Cc2ccco2)cc1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine?
The InChIKey is LKMVYBQIMRDYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-15-6-8-16(9-7-15)13-19(11-3-2-10-18)14-17-5-4-12-20-17/h4-9,12H,2-3,10-11,13-14,18H2,1H3.
What are the key properties of N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine?
N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 83969290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).