1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine

C24H34N2O — CID 141237451

IUPAC1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine
SMILESCc1cc(Cc2ccco2)c(NC2CCCCC2)cc1NC1CCCCC1
InChIInChI=1S/C24H34N2O/c1-18-15-19(16-22-13-8-14-27-22)24(26-21-11-6-3-7-12-21)17-23(18)25-20-9-4-2-5-10-20/h8,13-15,17,20-21,25-26H,2-7,9-12,16H2,1H3
InChIKeyOCTUCYVQKQVVTN-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.67
Rot. Bonds6

About 1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine

1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine (PubChem CID 141237451) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine
PubChem CID141237451
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine
SMILESCc1cc(Cc2ccco2)c(NC2CCCCC2)cc1NC1CCCCC1
InChIInChI=1S/C24H34N2O/c1-18-15-19(16-22-13-8-14-27-22)24(26-21-11-6-3-7-12-21)17-23(18)25-20-9-4-2-5-10-20/h8,13-15,17,20-21,25-26H,2-7,9-12,16H2,1H3
InChIKeyOCTUCYVQKQVVTN-UHFFFAOYSA-N
XLogP6.67
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-2-(furan-2-yl)-N-methylethanamine
CID 83175244
3-(cyclooctylamino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136683781
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880164
3-N-cyclooctyl-4-methylbenzene-1,3-diamine
CID 62590310
2-(cyclopentylamino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109321927
N-[3-(furan-2-yl)propyl]cycloheptanamine
CID 60984430
3-N-cyclohexylbenzene-1,2,3-triamine
CID 14942290
2-(cyclopentyloxymethyl)furan
CID 57019215
1-cyclohexyl-N-(furan-2-ylmethyl)ethanamine
CID 43754928
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine (CID 141237451) is 1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine is Cc1cc(Cc2ccco2)c(NC2CCCCC2)cc1NC1CCCCC1.
What is the InChIKey of 1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine?
The InChIKey is OCTUCYVQKQVVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-18-15-19(16-22-13-8-14-27-22)24(26-21-11-6-3-7-12-21)17-23(18)25-20-9-4-2-5-10-20/h8,13-15,17,20-21,25-26H,2-7,9-12,16H2,1H3.
What are the key properties of 1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine?
1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine has a molecular weight of 366.55 g/mol, XLogP of 6.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dicyclohexyl-4-(furan-2-ylmethyl)-6-methylbenzene-1,3-diamine is sourced from PubChem (CID 141237451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).