1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine

C21H26N2 — CID 174655386

IUPAC1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1(N)Cc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2/c22-20-8-4-5-15-21(20,23)16-19-13-11-18(12-14-19)10-9-17-6-2-1-3-7-17/h1-3,6-7,9-14,20H,4-5,8,15-16,22-23H2
InChIKeyHPKZCGCKFLKUSY-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.00
Rot. Bonds4

About 1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine

1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine (PubChem CID 174655386) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine
PubChem CID174655386
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1(N)Cc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2/c22-20-8-4-5-15-21(20,23)16-19-13-11-18(12-14-19)10-9-17-6-2-1-3-7-17/h1-3,6-7,9-14,20H,4-5,8,15-16,22-23H2
InChIKeyHPKZCGCKFLKUSY-UHFFFAOYSA-N
XLogP4.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine?
The IUPAC name of 1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine (CID 174655386) is 1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine is NC1CCCCC1(N)Cc1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine?
The InChIKey is HPKZCGCKFLKUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c22-20-8-4-5-15-21(20,23)16-19-13-11-18(12-14-19)10-9-17-6-2-1-3-7-17/h1-3,6-7,9-14,20H,4-5,8,15-16,22-23H2.
What are the key properties of 1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine?
1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine has a molecular weight of 306.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 174655386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).