2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine

C21H24N2 — CID 68859251

IUPAC2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine
SMILESCC1(Cc2ccccc2)C(N)=C(Cc2ccccc2)C=CC1N
InChIInChI=1S/C21H24N2/c1-21(15-17-10-6-3-7-11-17)19(22)13-12-18(20(21)23)14-16-8-4-2-5-9-16/h2-13,19H,14-15,22-23H2,1H3
InChIKeyGSUWLNXSQSTZSN-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.59
Rot. Bonds4

About 2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine

2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine (PubChem CID 68859251) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine
PubChem CID68859251
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine
SMILESCC1(Cc2ccccc2)C(N)=C(Cc2ccccc2)C=CC1N
InChIInChI=1S/C21H24N2/c1-21(15-17-10-6-3-7-11-17)19(22)13-12-18(20(21)23)14-16-8-4-2-5-9-16/h2-13,19H,14-15,22-23H2,1H3
InChIKeyGSUWLNXSQSTZSN-UHFFFAOYSA-N
XLogP3.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130712281
(2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine
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[(1S,2S)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475476
benzylbenzene;ethane;methanamine
CID 54117827
phenyl(113C)methylbenzene
CID 11194569
6-amino-1,4-dibenzylcyclohexa-2,4-diene-1-carboxylic acid
CID 162481530
3-benzyl-N,3-dimethylcyclopentan-1-amine
CID 116538980
S-(1-benzylcyclopropyl)thiohydroxylamine
CID 142895053
5-benzylfuran-2-amine
CID 68934924
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151
2-amino-4,5-dibenzyl-6H-quinazoline-5-carbaldehyde
CID 174611930

Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine (CID 68859251) is 2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine is CC1(Cc2ccccc2)C(N)=C(Cc2ccccc2)C=CC1N.
What is the InChIKey of 2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine?
The InChIKey is GSUWLNXSQSTZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-21(15-17-10-6-3-7-11-17)19(22)13-12-18(20(21)23)14-16-8-4-2-5-9-16/h2-13,19H,14-15,22-23H2,1H3.
What are the key properties of 2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine?
2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine has a molecular weight of 304.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 68859251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).