1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine

C15H29N3 — CID 81199895

IUPAC1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCC1CNCC1CN1CCC2C(CCCN2C)C1
InChIInChI=1S/C15H29N3/c1-12-8-16-9-14(12)11-18-7-5-15-13(10-18)4-3-6-17(15)2/h12-16H,3-11H2,1-2H3
InChIKeyRFJQAESZFQQDDV-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.26
Rot. Bonds2

About 1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine

1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (PubChem CID 81199895) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.

Molecular Properties

Compound Name1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
PubChem CID81199895
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCC1CNCC1CN1CCC2C(CCCN2C)C1
InChIInChI=1S/C15H29N3/c1-12-8-16-9-14(12)11-18-7-5-15-13(10-18)4-3-6-17(15)2/h12-16H,3-11H2,1-2H3
InChIKeyRFJQAESZFQQDDV-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-[(2-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199045
3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 164650694
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol
CID 81200547
3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine
CID 164657937
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine
CID 81199769
3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine
CID 81200535
1-[(4-methylpyrrolidin-3-yl)methyl]azepane
CID 63715689
2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine
CID 81199726
1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319770
3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
CID 102963551
2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-2-amine
CID 81200290
3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one
CID 81200334

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The IUPAC name of 1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (CID 81199895) is 1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.
What is the SMILES notation for 1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The canonical SMILES for 1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is CC1CNCC1CN1CCC2C(CCCN2C)C1.
What is the InChIKey of 1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The InChIKey is RFJQAESZFQQDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12-8-16-9-14(12)11-18-7-5-15-13(10-18)4-3-6-17(15)2/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine has a molecular weight of 251.42 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is sourced from PubChem (CID 81199895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).