cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride

C14H19ClN2 — CID 67693209

IUPACcyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride
SMILESCl.NC1CC1.c1ccc2c3c([nH]c2c1)CCC3
InChIInChI=1S/C11H11N.C3H7N.ClH/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10;4-3-1-2-3;/h1-2,4,6,12H,3,5,7H2;3H,1-2,4H2;1H
InChIKeyOWQNHWQBHFQNCR-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.19
Rot. Bonds

About cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride

cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride (PubChem CID 67693209) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride.

Molecular Properties

Compound Namecyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride
PubChem CID67693209
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Namecyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride
SMILESCl.NC1CC1.c1ccc2c3c([nH]c2c1)CCC3
InChIInChI=1S/C11H11N.C3H7N.ClH/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10;4-3-1-2-3;/h1-2,4,6,12H,3,5,7H2;3H,1-2,4H2;1H
InChIKeyOWQNHWQBHFQNCR-UHFFFAOYSA-N
XLogP3.19
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.19
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

molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
CID 162302713
2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
CID 15192091
1H-indole;2,3,4,9-tetrahydro-1H-carbazole
CID 161045949
(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598
1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione
CID 686232
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
2,3,4,9-tetrahydro-1H-carbazole-1-thiol
CID 138599371
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 26342575
(3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene
CID 168939672
2,3,4,5-tetrahydro-1H-phenanthridin-6-one;hydrochloride
CID 142809398
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285

Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride?
The IUPAC name of cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride (CID 67693209) is cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride.
What is the SMILES notation for cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride?
The canonical SMILES for cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride is Cl.NC1CC1.c1ccc2c3c([nH]c2c1)CCC3.
What is the InChIKey of cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride?
The InChIKey is OWQNHWQBHFQNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C3H7N.ClH/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10;4-3-1-2-3;/h1-2,4,6,12H,3,5,7H2;3H,1-2,4H2;1H.
What are the key properties of cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride?
cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 3.19, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride is sourced from PubChem (CID 67693209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).