3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C15H20N2 — CID 163459768

IUPAC3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)C1Cc2c([nH]c3ccccc23)C(N)C1
InChIInChI=1S/C15H20N2/c1-9(2)10-7-12-11-5-3-4-6-14(11)17-15(12)13(16)8-10/h3-6,9-10,13,17H,7-8,16H2,1-2H3
InChIKeyBNORNQQQIDXMBA-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.39
Rot. Bonds1

About 3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 163459768) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID163459768
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)C1Cc2c([nH]c3ccccc23)C(N)C1
InChIInChI=1S/C15H20N2/c1-9(2)10-7-12-11-5-3-4-6-14(11)17-15(12)13(16)8-10/h3-6,9-10,13,17H,7-8,16H2,1-2H3
InChIKeyBNORNQQQIDXMBA-UHFFFAOYSA-N
XLogP3.39
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
(1R,3R)-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 670862
(1S)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 7262088
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
(1R)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium
CID 6941367
methyl (1R,3S)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 707583
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
(1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 15674747
N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide
CID 84581981
ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate
CID 11470561
3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10511740

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 163459768) is 3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CC(C)C1Cc2c([nH]c3ccccc23)C(N)C1.
What is the InChIKey of 3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is BNORNQQQIDXMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-9(2)10-7-12-11-5-3-4-6-14(11)17-15(12)13(16)8-10/h3-6,9-10,13,17H,7-8,16H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 163459768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).