N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine

C11H17N3 — CID 83829902

IUPACN'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine
SMILESNCCCNc1ccnc2c1CCC2
InChIInChI=1S/C11H17N3/c12-6-2-7-13-11-5-8-14-10-4-1-3-9(10)11/h5,8H,1-4,6-7,12H2,(H,13,14)
InChIKeyBANAPUAYQGGRNR-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.33
Rot. Bonds4

About N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine

N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine (PubChem CID 83829902) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine
PubChem CID83829902
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine
SMILESNCCCNc1ccnc2c1CCC2
InChIInChI=1S/C11H17N3/c12-6-2-7-13-11-5-8-14-10-4-1-3-9(10)11/h5,8H,1-4,6-7,12H2,(H,13,14)
InChIKeyBANAPUAYQGGRNR-UHFFFAOYSA-N
XLogP1.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine
CID 139801667
N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine
CID 142090147
N'-(4-methyl-3-pyridinyl)propane-1,3-diamine
CID 66273701
N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
4-(5,6,7,8-tetrahydroquinolin-4-yl)-5,6,7,8-tetrahydroquinoline
CID 141320772
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59230333
N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine
CID 67454849
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 62832603
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
CID 11743869
2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide
CID 167951155
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45262034

Frequently Asked Questions

What is the IUPAC name of N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine (CID 83829902) is N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine is NCCCNc1ccnc2c1CCC2.
What is the InChIKey of N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine?
The InChIKey is BANAPUAYQGGRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-6-2-7-13-11-5-8-14-10-4-1-3-9(10)11/h5,8H,1-4,6-7,12H2,(H,13,14).
What are the key properties of N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine?
N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 83829902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).