2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine

C17H25N — CID 64729680

IUPAC2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine
SMILESCC1CC(C)CC(C2(N)Cc3ccccc3C2)C1
InChIInChI=1S/C17H25N/c1-12-7-13(2)9-16(8-12)17(18)10-14-5-3-4-6-15(14)11-17/h3-6,12-13,16H,7-11,18H2,1-2H3
InChIKeySEEZEHLFAQLTCJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.56
Rot. Bonds1

About 2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine

2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine (PubChem CID 64729680) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine
PubChem CID64729680
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine
SMILESCC1CC(C)CC(C2(N)Cc3ccccc3C2)C1
InChIInChI=1S/C17H25N/c1-12-7-13(2)9-16(8-12)17(18)10-14-5-3-4-6-15(14)11-17/h3-6,12-13,16H,7-11,18H2,1-2H3
InChIKeySEEZEHLFAQLTCJ-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine (CID 64729680) is 2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine is CC1CC(C)CC(C2(N)Cc3ccccc3C2)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine?
The InChIKey is SEEZEHLFAQLTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-7-13(2)9-16(8-12)17(18)10-14-5-3-4-6-15(14)11-17/h3-6,12-13,16H,7-11,18H2,1-2H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine?
2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine has a molecular weight of 243.39 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine is sourced from PubChem (CID 64729680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).