1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine

C17H26N2 — CID 79741514

IUPAC1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC1CCC(NC2CCc3cc(N)ccc32)C(C)C1
InChIInChI=1S/C17H26N2/c1-11-3-7-16(12(2)9-11)19-17-8-4-13-10-14(18)5-6-15(13)17/h5-6,10-12,16-17,19H,3-4,7-9,18H2,1-2H3
InChIKeySLUDUBIDKPPWRF-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.67
Rot. Bonds2

About 1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79741514) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79741514
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC1CCC(NC2CCc3cc(N)ccc32)C(C)C1
InChIInChI=1S/C17H26N2/c1-11-3-7-16(12(2)9-11)19-17-8-4-13-10-14(18)5-6-15(13)17/h5-6,10-12,16-17,19H,3-4,7-9,18H2,1-2H3
InChIKeySLUDUBIDKPPWRF-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79741514) is 1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine is CC1CCC(NC2CCc3cc(N)ccc32)C(C)C1.
What is the InChIKey of 1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is SLUDUBIDKPPWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-11-3-7-16(12(2)9-11)19-17-8-4-13-10-14(18)5-6-15(13)17/h5-6,10-12,16-17,19H,3-4,7-9,18H2,1-2H3.
What are the key properties of 1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 258.41 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79741514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).