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

C17H32ClN3 — CID 120901813

IUPAC1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride
SMILESCC1(CN2CCC3C(CCCN3C3CC3)C2)CCNC1.Cl
InChIInChI=1S/C17H31N3.ClH/c1-17(7-8-18-12-17)13-19-10-6-16-14(11-19)3-2-9-20(16)15-4-5-15;/h14-16,18H,2-13H2,1H3;1H
InChIKeyBXQPHCFMSBVFOC-UHFFFAOYSA-N
MW313.92 g/mol
LogP2.36
Rot. Bonds3

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

1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride (PubChem CID 120901813) has the molecular formula C17H32ClN3 and a molecular weight of 313.92 g/mol. Its IUPAC name is 1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride
PubChem CID120901813
Molecular FormulaC17H32ClN3
Molecular Weight313.92 g/mol
Exact Mass313.23
IUPAC Name1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride
SMILESCC1(CN2CCC3C(CCCN3C3CC3)C2)CCNC1.Cl
InChIInChI=1S/C17H31N3.ClH/c1-17(7-8-18-12-17)13-19-10-6-16-14(11-19)3-2-9-20(16)15-4-5-15;/h14-16,18H,2-13H2,1H3;1H
InChIKeyBXQPHCFMSBVFOC-UHFFFAOYSA-N
XLogP2.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.92
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride with MolForge

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Related Compounds

(3aR,6aS)-2-methyl-5-[(3-methylpyrrolidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrochloride
CID 120903554
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
2-cyclopentyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899104
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylazepane
CID 120899609
1-[(3-methylpyrrolidin-3-yl)methyl]-3-methylsulfanylpyrrolidine
CID 130979190
3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899331
N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 63536783
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899502
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride?
The IUPAC name of 1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride (CID 120901813) is 1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride is CC1(CN2CCC3C(CCCN3C3CC3)C2)CCNC1.Cl.
What is the InChIKey of 1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride?
The InChIKey is BXQPHCFMSBVFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3.ClH/c1-17(7-8-18-12-17)13-19-10-6-16-14(11-19)3-2-9-20(16)15-4-5-15;/h14-16,18H,2-13H2,1H3;1H.
What are the key properties of 1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride?
1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride has a molecular weight of 313.92 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-[(3-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine;hydrochloride is sourced from PubChem (CID 120901813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).