(9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine

C14H20N2 — CID 105470355

IUPAC(9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine
SMILESCc1cccc2c1N1CC(CN)CC1CC2
InChIInChI=1S/C14H20N2/c1-10-3-2-4-12-5-6-13-7-11(8-15)9-16(13)14(10)12/h2-4,11,13H,5-9,15H2,1H3
InChIKeyGCOWUTMEPCDCOQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.09
Rot. Bonds1

About (9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine

(9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine (PubChem CID 105470355) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine.

Molecular Properties

Compound Name(9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine
PubChem CID105470355
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine
SMILESCc1cccc2c1N1CC(CN)CC1CC2
InChIInChI=1S/C14H20N2/c1-10-3-2-4-12-5-6-13-7-11(8-15)9-16(13)14(10)12/h2-4,11,13H,5-9,15H2,1H3
InChIKeyGCOWUTMEPCDCOQ-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine?
The IUPAC name of (9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine (CID 105470355) is (9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine.
What is the SMILES notation for (9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine?
The canonical SMILES for (9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine is Cc1cccc2c1N1CC(CN)CC1CC2.
What is the InChIKey of (9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine?
The InChIKey is GCOWUTMEPCDCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-3-2-4-12-5-6-13-7-11(8-15)9-16(13)14(10)12/h2-4,11,13H,5-9,15H2,1H3.
What are the key properties of (9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine?
(9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine has a molecular weight of 216.33 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine is sourced from PubChem (CID 105470355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).