1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine

C16H17N3 — CID 117381867

IUPAC1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine
SMILESNC1(c2ccc3[nH]c4cnccc4c3c2)CCCC1
InChIInChI=1S/C16H17N3/c17-16(6-1-2-7-16)11-3-4-14-13(9-11)12-5-8-18-10-15(12)19-14/h3-5,8-10,19H,1-2,6-7,17H2
InChIKeyZEHOBWDQTFOHOW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.44
Rot. Bonds1

About 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine

1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine (PubChem CID 117381867) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine
PubChem CID117381867
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine
SMILESNC1(c2ccc3[nH]c4cnccc4c3c2)CCCC1
InChIInChI=1S/C16H17N3/c17-16(6-1-2-7-16)11-3-4-14-13(9-11)12-5-8-18-10-15(12)19-14/h3-5,8-10,19H,1-2,6-7,17H2
InChIKeyZEHOBWDQTFOHOW-UHFFFAOYSA-N
XLogP3.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole
CID 117381861
1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid
CID 117383621
9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 18671949
6-phenyl-9H-pyrido[3,4-b]indole
CID 122607643
1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine
CID 117325794
[1-(9H-carbazol-3-yl)cyclopentyl]methanamine
CID 117415895
N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine
CID 167339450
1-(3-chloro-1H-indol-5-yl)cyclobutan-1-amine
CID 117315065
7-chloro-9H-pyrido[3,4-b]indole
CID 22185281
3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid
CID 117390924
1-pyridin-4-ylcyclobutan-1-amine;hydrochloride
CID 146013729
1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride
CID 131870742

Frequently Asked Questions

What is the IUPAC name of 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine?
The IUPAC name of 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine (CID 117381867) is 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine is NC1(c2ccc3[nH]c4cnccc4c3c2)CCCC1.
What is the InChIKey of 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine?
The InChIKey is ZEHOBWDQTFOHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c17-16(6-1-2-7-16)11-3-4-14-13(9-11)12-5-8-18-10-15(12)19-14/h3-5,8-10,19H,1-2,6-7,17H2.
What are the key properties of 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine?
1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-pyrido[3,4-b]indol-6-yl)cyclopentan-1-amine is sourced from PubChem (CID 117381867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).