2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine

C20H26N2 — CID 71235726

IUPAC2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine
SMILESCC1c2c([nH]c3ccccc23)CCC1C1(C)C=CCCC1N
InChIInChI=1S/C20H26N2/c1-13-15(20(2)12-6-5-9-18(20)21)10-11-17-19(13)14-7-3-4-8-16(14)22-17/h3-4,6-8,12-13,15,18,22H,5,9-11,21H2,1-2H3
InChIKeyQLKSAOFYZPINDN-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.52
Rot. Bonds1

About 2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine

2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine (PubChem CID 71235726) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine
PubChem CID71235726
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine
SMILESCC1c2c([nH]c3ccccc23)CCC1C1(C)C=CCCC1N
InChIInChI=1S/C20H26N2/c1-13-15(20(2)12-6-5-9-18(20)21)10-11-17-19(13)14-7-3-4-8-16(14)22-17/h3-4,6-8,12-13,15,18,22H,5,9-11,21H2,1-2H3
InChIKeyQLKSAOFYZPINDN-UHFFFAOYSA-N
XLogP4.52
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
CID 838888
(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 9350450
1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177006
1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177063
1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173176510
N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333308
(4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole
CID 10900760
(3aR,10cR)-2-[2-(dimethylamino)ethyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 928621
(3aS,10cS)-2-[2-(dimethylamino)ethyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11872765
2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-1-carboxylic acid
CID 12627214
cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride
CID 67693209
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine?
The IUPAC name of 2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine (CID 71235726) is 2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine?
The canonical SMILES for 2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine is CC1c2c([nH]c3ccccc23)CCC1C1(C)C=CCCC1N.
What is the InChIKey of 2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine?
The InChIKey is QLKSAOFYZPINDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-13-15(20(2)12-6-5-9-18(20)21)10-11-17-19(13)14-7-3-4-8-16(14)22-17/h3-4,6-8,12-13,15,18,22H,5,9-11,21H2,1-2H3.
What are the key properties of 2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine?
2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine has a molecular weight of 294.44 g/mol, XLogP of 4.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 71235726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).