4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine

C15H22N2 — CID 79739069

IUPAC4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine
SMILESCCCNCCC=CC1CCc2cccnc21
InChIInChI=1S/C15H22N2/c1-2-10-16-11-4-3-6-13-8-9-14-7-5-12-17-15(13)14/h3,5-7,12-13,16H,2,4,8-11H2,1H3
InChIKeyOTRVAWLXHUOORM-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.06
Rot. Bonds6

About 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine

4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine (PubChem CID 79739069) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine
PubChem CID79739069
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine
SMILESCCCNCCC=CC1CCc2cccnc21
InChIInChI=1S/C15H22N2/c1-2-10-16-11-4-3-6-13-8-9-14-7-5-12-17-15(13)14/h3,5-7,12-13,16H,2,4,8-11H2,1H3
InChIKeyOTRVAWLXHUOORM-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
CID 79738216
N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
CID 79737614
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79738591
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylcyclopentan-1-amine
CID 79738593
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;propane
CID 144513567
N-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79732011
N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 103444802
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878556
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 79739582
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
CID 79737789
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
7-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 115410429

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine (CID 79739069) is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine is CCCNCCC=CC1CCc2cccnc21.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine?
The InChIKey is OTRVAWLXHUOORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-10-16-11-4-3-6-13-8-9-14-7-5-12-17-15(13)14/h3,5-7,12-13,16H,2,4,8-11H2,1H3.
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine?
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 79739069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).