1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine

C19H36N3+ — CID 162812272

IUPAC1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine
SMILESCC1CCC2[NH2+]C3C(CCN3CC3CCCCC3)C(N)C2C1
InChIInChI=1S/C19H35N3/c1-13-7-8-17-16(11-13)18(20)15-9-10-22(19(15)21-17)12-14-5-3-2-4-6-14/h13-19,21H,2-12,20H2,1H3/p+1
InChIKeyHPUIRHQFFAYPKU-UHFFFAOYSA-O
MW306.52 g/mol
LogP1.92
Rot. Bonds2

About 1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine

1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine (PubChem CID 162812272) has the molecular formula C19H36N3+ and a molecular weight of 306.52 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine
PubChem CID162812272
Molecular FormulaC19H36N3+
Molecular Weight306.52 g/mol
Exact Mass306.29
IUPAC Name1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine
SMILESCC1CCC2[NH2+]C3C(CCN3CC3CCCCC3)C(N)C2C1
InChIInChI=1S/C19H35N3/c1-13-7-8-17-16(11-13)18(20)15-9-10-22(19(15)21-17)12-14-5-3-2-4-6-14/h13-19,21H,2-12,20H2,1H3/p+1
InChIKeyHPUIRHQFFAYPKU-UHFFFAOYSA-O
XLogP1.92
TPSA45.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine with MolForge

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Related Compounds

1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine
CID 163157603
1-(cyclohexylmethyl)-3-methylpiperidin-2-amine
CID 163167256
1-[(3-methylcyclohexyl)methyl]piperidin-2-amine
CID 163170987
1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine
CID 137427496
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
[2-cyclohexyl-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233136
3-(bromomethyl)-1-(cyclohexylmethyl)-2-methylpyrrolidine
CID 130815735
2-cyclopentyl-1-(3-methylcyclopentyl)ethanamine
CID 65413957
4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 60973462
1-(4-amino-2-methylpiperidin-1-yl)-3-cyclopentylpropan-2-ol
CID 103160911
1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786041
3-[(1Z,3Z)-5-chloro-1-fluorohexa-1,3,5-trienyl]-1-(cyclohexylmethyl)pyrrolidin-2-amine
CID 145020202

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine?
The IUPAC name of 1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine (CID 162812272) is 1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine is CC1CCC2[NH2+]C3C(CCN3CC3CCCCC3)C(N)C2C1.
What is the InChIKey of 1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine?
The InChIKey is HPUIRHQFFAYPKU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H35N3/c1-13-7-8-17-16(11-13)18(20)15-9-10-22(19(15)21-17)12-14-5-3-2-4-6-14/h13-19,21H,2-12,20H2,1H3/p+1.
What are the key properties of 1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine?
1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine has a molecular weight of 306.52 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-9-ium-4-amine is sourced from PubChem (CID 162812272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).