N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C16H26N2 — CID 114138079

IUPACN-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESCCCCC(CCC)NC1CCc2cccnc21
InChIInChI=1S/C16H26N2/c1-3-5-9-14(7-4-2)18-15-11-10-13-8-6-12-17-16(13)15/h6,8,12,14-15,18H,3-5,7,9-11H2,1-2H3
InChIKeyIIGLWXPUIYBIHU-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.02
Rot. Bonds7

About N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 114138079) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID114138079
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESCCCCC(CCC)NC1CCc2cccnc21
InChIInChI=1S/C16H26N2/c1-3-5-9-14(7-4-2)18-15-11-10-13-8-6-12-17-16(13)15/h6,8,12,14-15,18H,3-5,7,9-11H2,1-2H3
InChIKeyIIGLWXPUIYBIHU-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxybutan-1-ol
CID 106156845
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol
CID 106187476
N-(1-cyclopropylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078646
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propan-1-ol
CID 102772845
ethyl 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propanoate
CID 102773602
N-(1-ethoxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773638
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylpentan-1-amine
CID 79747782
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol
CID 102773952
N-(4-pentylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772729
N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774294
N-(2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774269
1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 106023518

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 114138079) is N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is CCCCC(CCC)NC1CCc2cccnc21.
What is the InChIKey of N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is IIGLWXPUIYBIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-5-9-14(7-4-2)18-15-11-10-13-8-6-12-17-16(13)15/h6,8,12,14-15,18H,3-5,7,9-11H2,1-2H3.
What are the key properties of N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 246.40 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 114138079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).