(1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide

C18H26N2O — CID 70892671

IUPAC(1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide
SMILESCC1=C2CC(C)CC2=CCC1NC(=O)[C@@H]1C=CC(N)CC1
InChIInChI=1S/C18H26N2O/c1-11-9-14-5-8-17(12(2)16(14)10-11)20-18(21)13-3-6-15(19)7-4-13/h3,5-6,11,13,15,17H,4,7-10,19H2,1-2H3,(H,20,21)/t11?,13-,15?,17?/m1/s1
InChIKeyWBSZHDHDXPGKSC-GZUJNWFLSA-N
MW286.42 g/mol
LogP2.84
Rot. Bonds2

About (1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide

(1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide (PubChem CID 70892671) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide
PubChem CID70892671
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide
SMILESCC1=C2CC(C)CC2=CCC1NC(=O)[C@@H]1C=CC(N)CC1
InChIInChI=1S/C18H26N2O/c1-11-9-14-5-8-17(12(2)16(14)10-11)20-18(21)13-3-6-15(19)7-4-13/h3,5-6,11,13,15,17H,4,7-10,19H2,1-2H3,(H,20,21)/t11?,13-,15?,17?/m1/s1
InChIKeyWBSZHDHDXPGKSC-GZUJNWFLSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide?
The IUPAC name of (1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide (CID 70892671) is (1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide.
What is the SMILES notation for (1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide?
The canonical SMILES for (1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide is CC1=C2CC(C)CC2=CCC1NC(=O)[C@@H]1C=CC(N)CC1.
What is the InChIKey of (1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide?
The InChIKey is WBSZHDHDXPGKSC-GZUJNWFLSA-N. The full InChI is InChI=1S/C18H26N2O/c1-11-9-14-5-8-17(12(2)16(14)10-11)20-18(21)13-3-6-15(19)7-4-13/h3,5-6,11,13,15,17H,4,7-10,19H2,1-2H3,(H,20,21)/t11?,13-,15?,17?/m1/s1.
What are the key properties of (1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide?
(1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 70892671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).