[1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine

C17H34N4 — CID 81199467

IUPAC[1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine
SMILESCCN1CCC(CN)(N2CCC3C(CCCN3C)C2)CC1
InChIInChI=1S/C17H34N4/c1-3-20-11-7-17(14-18,8-12-20)21-10-6-16-15(13-21)5-4-9-19(16)2/h15-16H,3-14,18H2,1-2H3
InChIKeyROWZPRGGZVCGNA-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.22
Rot. Bonds3

About [1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine

[1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine (PubChem CID 81199467) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is [1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine
PubChem CID81199467
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name[1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine
SMILESCCN1CCC(CN)(N2CCC3C(CCCN3C)C2)CC1
InChIInChI=1S/C17H34N4/c1-3-20-11-7-17(14-18,8-12-20)21-10-6-16-15(13-21)5-4-9-19(16)2/h15-16H,3-14,18H2,1-2H3
InChIKeyROWZPRGGZVCGNA-UHFFFAOYSA-N
XLogP1.22
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine with MolForge

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Related Compounds

[1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine
CID 81199444
[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-ethylazepan-4-yl]methanamine
CID 65078315
[3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
CID 81199474
[3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
CID 81199459
[2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine
CID 81199448
[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine
CID 102725752
[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine
CID 65078792
[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 81199454
1-ethyl-4-(1-methylpyrrolidin-2-yl)piperidine
CID 178005282
[1-ethyl-4-(4-methoxypiperidin-1-yl)azepan-4-yl]methanamine
CID 65078802
[1-(aminomethyl)cyclobutyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81196992
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopropyl]methanamine
CID 106661339

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine (CID 81199467) is [1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine is CCN1CCC(CN)(N2CCC3C(CCCN3C)C2)CC1.
What is the InChIKey of [1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine?
The InChIKey is ROWZPRGGZVCGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-3-20-11-7-17(14-18,8-12-20)21-10-6-16-15(13-21)5-4-9-19(16)2/h15-16H,3-14,18H2,1-2H3.
What are the key properties of [1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine?
[1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine has a molecular weight of 294.49 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 81199467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).