4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine

C16H22N2 — CID 151791732

IUPAC4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine
SMILESCC1=CC(NC(C)C)C(N)(c2ccccc2)C=C1
InChIInChI=1S/C16H22N2/c1-12(2)18-15-11-13(3)9-10-16(15,17)14-7-5-4-6-8-14/h4-12,15,18H,17H2,1-3H3
InChIKeyRWTHKSAFPDXVCV-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.72
Rot. Bonds3

About 4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine

4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 151791732) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine
PubChem CID151791732
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine
SMILESCC1=CC(NC(C)C)C(N)(c2ccccc2)C=C1
InChIInChI=1S/C16H22N2/c1-12(2)18-15-11-13(3)9-10-16(15,17)14-7-5-4-6-8-14/h4-12,15,18H,17H2,1-3H3
InChIKeyRWTHKSAFPDXVCV-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine (CID 151791732) is 4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine is CC1=CC(NC(C)C)C(N)(c2ccccc2)C=C1.
What is the InChIKey of 4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is RWTHKSAFPDXVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12(2)18-15-11-13(3)9-10-16(15,17)14-7-5-4-6-8-14/h4-12,15,18H,17H2,1-3H3.
What are the key properties of 4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine?
4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 242.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-2-N-propan-2-ylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 151791732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).