1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine

C14H18N2 — CID 10036189

IUPAC1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine
SMILESCc1cc(N)c(C)c2c3c([nH]c12)CCCC3
InChIInChI=1S/C14H18N2/c1-8-7-11(15)9(2)13-10-5-3-4-6-12(10)16-14(8)13/h7,16H,3-6,15H2,1-2H3
InChIKeyTXYQPRXDHKWKLU-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.25
Rot. Bonds

About 1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine

1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine (PubChem CID 10036189) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine.

Molecular Properties

Compound Name1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine
PubChem CID10036189
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine
SMILESCc1cc(N)c(C)c2c3c([nH]c12)CCCC3
InChIInChI=1S/C14H18N2/c1-8-7-11(15)9(2)13-10-5-3-4-6-12(10)16-14(8)13/h7,16H,3-6,15H2,1-2H3
InChIKeyTXYQPRXDHKWKLU-UHFFFAOYSA-N
XLogP3.25
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 10332067
8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 156888488
1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one
CID 3272254
6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 104509007
5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole
CID 79195348
3,5-dimethyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene
CID 22896644
7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 139234350
1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
CID 175111813
6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine
CID 3841720
8-ethyl-1,4-dimethyl-9H-carbazol-3-amine
CID 139222915
5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 10900868
2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 12798227

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine?
The IUPAC name of 1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine (CID 10036189) is 1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine.
What is the SMILES notation for 1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine?
The canonical SMILES for 1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine is Cc1cc(N)c(C)c2c3c([nH]c12)CCCC3.
What is the InChIKey of 1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine?
The InChIKey is TXYQPRXDHKWKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-8-7-11(15)9(2)13-10-5-3-4-6-12(10)16-14(8)13/h7,16H,3-6,15H2,1-2H3.
What are the key properties of 1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine?
1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine has a molecular weight of 214.31 g/mol, XLogP of 3.25, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine is sourced from PubChem (CID 10036189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).