N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C15H21ClN2 — CID 113395022

IUPACN-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESClC1CCCCCC1Nc1ccc2c(n1)CCC2
InChIInChI=1S/C15H21ClN2/c16-12-6-2-1-3-7-14(12)18-15-10-9-11-5-4-8-13(11)17-15/h9-10,12,14H,1-8H2,(H,17,18)
InChIKeyMMIGEOSFTQMSFB-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.92
Rot. Bonds2

About N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 113395022) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID113395022
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC NameN-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESClC1CCCCCC1Nc1ccc2c(n1)CCC2
InChIInChI=1S/C15H21ClN2/c16-12-6-2-1-3-7-14(12)18-15-10-9-11-5-4-8-13(11)17-15/h9-10,12,14H,1-8H2,(H,17,18)
InChIKeyMMIGEOSFTQMSFB-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 107850724
N-(2-methyloxan-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 114108359
N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115373212
1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine
CID 106738366
N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65029507
N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113487776
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 155412163
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 15012906
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)acetic acid
CID 83830034
N-(5,6,7,8-tetrahydroquinolin-2-yl)acetamide
CID 10035435
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 104973469
N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 114515997

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 113395022) is N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is ClC1CCCCCC1Nc1ccc2c(n1)CCC2.
What is the InChIKey of N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is MMIGEOSFTQMSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c16-12-6-2-1-3-7-14(12)18-15-10-9-11-5-4-8-13(11)17-15/h9-10,12,14H,1-8H2,(H,17,18).
What are the key properties of N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 264.80 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 113395022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).