N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C19H29N — CID 82821544

IUPACN-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccccc2C1NCCC1CCCCC1
InChIInChI=1S/C19H29N/c1-19(2)14-16-10-6-7-11-17(16)18(19)20-13-12-15-8-4-3-5-9-15/h6-7,10-11,15,18,20H,3-5,8-9,12-14H2,1-2H3
InChIKeyZLZGCDRHNIJCSX-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.87
Rot. Bonds4

About N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82821544) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82821544
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccccc2C1NCCC1CCCCC1
InChIInChI=1S/C19H29N/c1-19(2)14-16-10-6-7-11-17(16)18(19)20-13-12-15-8-4-3-5-9-15/h6-7,10-11,15,18,20H,3-5,8-9,12-14H2,1-2H3
InChIKeyZLZGCDRHNIJCSX-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82821544) is N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccccc2C1NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is ZLZGCDRHNIJCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-19(2)14-16-10-6-7-11-17(16)18(19)20-13-12-15-8-4-3-5-9-15/h6-7,10-11,15,18,20H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82821544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).