N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine

C19H30N2 — CID 79740041

IUPACN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCC(CC)CC1)C1CCc2cccnc21
InChIInChI=1S/C19H30N2/c1-3-14-7-9-16(10-8-14)18(20-4-2)17-12-11-15-6-5-13-21-19(15)17/h5-6,13-14,16-18,20H,3-4,7-12H2,1-2H3
InChIKeyVALGRYRHSYGKJJ-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.31
Rot. Bonds5

About N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine

N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine (PubChem CID 79740041) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine
PubChem CID79740041
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCC(CC)CC1)C1CCc2cccnc21
InChIInChI=1S/C19H30N2/c1-3-14-7-9-16(10-8-14)18(20-4-2)17-12-11-15-6-5-13-21-19(15)17/h5-6,13-14,16-18,20H,3-4,7-12H2,1-2H3
InChIKeyVALGRYRHSYGKJJ-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 79740244
N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79960772
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine
CID 79966609
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105009967
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726873
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylpentan-1-amine
CID 79747782
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79747811
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 79748872
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine
CID 79747770
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine
CID 79748328
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylphenyl)methyl]ethanamine
CID 79748587

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine (CID 79740041) is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine is CCNC(C1CCC(CC)CC1)C1CCc2cccnc21.
What is the InChIKey of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is VALGRYRHSYGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-14-7-9-16(10-8-14)18(20-4-2)17-12-11-15-6-5-13-21-19(15)17/h5-6,13-14,16-18,20H,3-4,7-12H2,1-2H3.
What are the key properties of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine?
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 286.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 79740041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).