(4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride

C8H17ClN2 — CID 155905230

IUPAC(4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride
SMILESCl.N[C@@H]1CC[C@H]2CCNC[C@H]21
InChIInChI=1S/C8H16N2.ClH/c9-8-2-1-6-3-4-10-5-7(6)8;/h6-8,10H,1-5,9H2;1H/t6-,7+,8+;/m0./s1
InChIKeyRZRJINQXEMFKCU-HNPMAXIBSA-N
MW176.69 g/mol
LogP0.75
Rot. Bonds

About (4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride

(4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride (PubChem CID 155905230) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is (4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride.

Molecular Properties

Compound Name(4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride
PubChem CID155905230
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name(4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride
SMILESCl.N[C@@H]1CC[C@H]2CCNC[C@H]21
InChIInChI=1S/C8H16N2.ClH/c9-8-2-1-6-3-4-10-5-7(6)8;/h6-8,10H,1-5,9H2;1H/t6-,7+,8+;/m0./s1
InChIKeyRZRJINQXEMFKCU-HNPMAXIBSA-N
XLogP0.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride with MolForge

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Related Compounds

(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine
CID 22862086
(3R)-4-cyclopropylpiperidin-3-amine;dihydrochloride
CID 76844694
5-cyclopropylazepan-4-amine
CID 84763542
2-cyclopropylcyclobutan-1-amine;hydrochloride
CID 71743824
(4aS,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ol
CID 155904641
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
4-cyclopentylpiperidin-3-amine
CID 84765487
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride
CID 135184579
7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 143686108
3-azabicyclo[4.2.0]octan-7-amine
CID 21475401
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
bicyclo[3.1.0]hexan-2-amine;hydrochloride
CID 78172525

Frequently Asked Questions

What is the IUPAC name of (4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride?
The IUPAC name of (4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride (CID 155905230) is (4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride.
What is the SMILES notation for (4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride?
The canonical SMILES for (4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride is Cl.N[C@@H]1CC[C@H]2CCNC[C@H]21.
What is the InChIKey of (4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride?
The InChIKey is RZRJINQXEMFKCU-HNPMAXIBSA-N. The full InChI is InChI=1S/C8H16N2.ClH/c9-8-2-1-6-3-4-10-5-7(6)8;/h6-8,10H,1-5,9H2;1H/t6-,7+,8+;/m0./s1.
What are the key properties of (4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride?
(4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride has a molecular weight of 176.69 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride is sourced from PubChem (CID 155905230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).