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

C19H35N3 — CID 163157603

IUPAC1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine
SMILESCC1CCCC2C(N)C3CCN(CC4CCCCC4)C3NC12
InChIInChI=1S/C19H35N3/c1-13-6-5-9-15-17(20)16-10-11-22(19(16)21-18(13)15)12-14-7-3-2-4-8-14/h13-19,21H,2-12,20H2,1H3
InChIKeyCCVOPXRQPNMDME-UHFFFAOYSA-N
MW305.51 g/mol
LogP2.95
Rot. Bonds2

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

1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine (PubChem CID 163157603) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine
PubChem CID163157603
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine
SMILESCC1CCCC2C(N)C3CCN(CC4CCCCC4)C3NC12
InChIInChI=1S/C19H35N3/c1-13-6-5-9-15-17(20)16-10-11-22(19(16)21-18(13)15)12-14-7-3-2-4-8-14/h13-19,21H,2-12,20H2,1H3
InChIKeyCCVOPXRQPNMDME-UHFFFAOYSA-N
XLogP2.95
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine?
The IUPAC name of 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) is 1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine is CC1CCCC2C(N)C3CCN(CC4CCCCC4)C3NC12.
What is the InChIKey of 1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine?
The InChIKey is CCVOPXRQPNMDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-13-6-5-9-15-17(20)16-10-11-22(19(16)21-18(13)15)12-14-7-3-2-4-8-14/h13-19,21H,2-12,20H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine?
1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine has a molecular weight of 305.51 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-8-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydropyrrolo[2,3-b]quinolin-4-amine is sourced from PubChem (CID 163157603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).