N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine

C17H33N3 — CID 81199337

IUPACN-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine
SMILESCCNC1CCCCC1N1CCC2C(CCCN2C)C1
InChIInChI=1S/C17H33N3/c1-3-18-15-8-4-5-9-17(15)20-12-10-16-14(13-20)7-6-11-19(16)2/h14-18H,3-13H2,1-2H3
InChIKeySSHRPNRROXZPFH-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds3

About N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine

N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine (PubChem CID 81199337) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine
PubChem CID81199337
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine
SMILESCCNC1CCCCC1N1CCC2C(CCCN2C)C1
InChIInChI=1S/C17H33N3/c1-3-18-15-8-4-5-9-17(15)20-12-10-16-14(13-20)7-6-11-19(16)2/h14-18H,3-13H2,1-2H3
InChIKeySSHRPNRROXZPFH-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine with MolForge

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Related Compounds

N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine
CID 79166371
N,N-diethyl-1-[2-(ethylamino)cyclohexyl]pyrrolidin-3-amine
CID 63169941
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethylcyclopentan-1-amine
CID 65319332
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
CID 79174696
N-ethyl-2-(3-propylpyrrolidin-1-yl)cycloheptan-1-amine
CID 113417305
N-ethyl-2-(4-methylazepan-1-yl)cycloheptan-1-amine
CID 63624079
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]cyclopentan-1-amine
CID 64569500
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine
CID 63469025
N-ethyl-2-(4-propylpiperidin-1-yl)cyclooctan-1-amine
CID 63469847

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine (CID 81199337) is N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine is CCNC1CCCCC1N1CCC2C(CCCN2C)C1.
What is the InChIKey of N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine?
The InChIKey is SSHRPNRROXZPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-3-18-15-8-4-5-9-17(15)20-12-10-16-14(13-20)7-6-11-19(16)2/h14-18H,3-13H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine?
N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 81199337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).