6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine

C18H28N2 — CID 79747770

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(N)C2CCc3cccnc32)CC1
InChIInChI=1S/C18H28N2/c1-2-4-13-6-8-14(9-7-13)17(19)16-11-10-15-5-3-12-20-18(15)16/h3,5,12-14,16-17H,2,4,6-11,19H2,1H3
InChIKeyXDMDPKYSFLLTQZ-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.05
Rot. Bonds4

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine (PubChem CID 79747770) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine
PubChem CID79747770
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(N)C2CCc3cccnc32)CC1
InChIInChI=1S/C18H28N2/c1-2-4-13-6-8-14(9-7-13)17(19)16-11-10-15-5-3-12-20-18(15)16/h3,5,12-14,16-17H,2,4,6-11,19H2,1H3
InChIKeyXDMDPKYSFLLTQZ-UHFFFAOYSA-N
XLogP4.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 80604020
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105166161
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butan-1-amine
CID 79748418
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-propylpentan-1-amine
CID 105009869
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,2-dimethylcyclopropyl)methanamine
CID 107004734
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine
CID 79740041
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-methylbutan-1-amine
CID 79748029
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethanamine
CID 79747927
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methoxyethanamine
CID 79747968
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethylphenyl)methanamine
CID 105009866
5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine
CID 105164783

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine (CID 79747770) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine is CCCC1CCC(C(N)C2CCc3cccnc32)CC1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine?
The InChIKey is XDMDPKYSFLLTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-4-13-6-8-14(9-7-13)17(19)16-11-10-15-5-3-12-20-18(15)16/h3,5,12-14,16-17H,2,4,6-11,19H2,1H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine has a molecular weight of 272.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine is sourced from PubChem (CID 79747770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).