N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine

C20H31N — CID 65411512

IUPACN-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1Cc2ccccc2C1)C1CC(C)CC(C)C1
InChIInChI=1S/C20H31N/c1-4-21-20(18-10-14(2)9-15(3)11-18)19-12-16-7-5-6-8-17(16)13-19/h5-8,14-15,18-21H,4,9-13H2,1-3H3
InChIKeyPZDCRVWITJFCSQ-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.45
Rot. Bonds4

About N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine

N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 65411512) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine
PubChem CID65411512
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1Cc2ccccc2C1)C1CC(C)CC(C)C1
InChIInChI=1S/C20H31N/c1-4-21-20(18-10-14(2)9-15(3)11-18)19-12-16-7-5-6-8-17(16)13-19/h5-8,14-15,18-21H,4,9-13H2,1-3H3
InChIKeyPZDCRVWITJFCSQ-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine (CID 65411512) is N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine is CCNC(C1Cc2ccccc2C1)C1CC(C)CC(C)C1.
What is the InChIKey of N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is PZDCRVWITJFCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-4-21-20(18-10-14(2)9-15(3)11-18)19-12-16-7-5-6-8-17(16)13-19/h5-8,14-15,18-21H,4,9-13H2,1-3H3.
What are the key properties of N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine?
N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 285.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 65411512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).