7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine

C9H19N3 — CID 144764564

IUPAC7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine
SMILESCC1(N)CNCC2CNCC2C1
InChIInChI=1S/C9H19N3/c1-9(10)2-7-3-11-4-8(7)5-12-6-9/h7-8,11-12H,2-6,10H2,1H3
InChIKeyXGKSGWSLYBJHIT-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.47
Rot. Bonds

About 7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine

7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine (PubChem CID 144764564) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine.

Molecular Properties

Compound Name7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine
PubChem CID144764564
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine
SMILESCC1(N)CNCC2CNCC2C1
InChIInChI=1S/C9H19N3/c1-9(10)2-7-3-11-4-8(7)5-12-6-9/h7-8,11-12H,2-6,10H2,1H3
InChIKeyXGKSGWSLYBJHIT-UHFFFAOYSA-N
XLogP-0.47
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine with MolForge

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Related Compounds

1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane
CID 138707050
5-cyclopropyl-3,3-difluoropiperidine
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3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine
CID 165455269
methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate
CID 130001074
3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine
CID 165449953
7-methyltricyclo[3.3.1.03,9]nonan-7-amine
CID 152844256
7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrazolo[4,3-c]pyridine
CID 170905784
5-amino-1,2,3,3a,4,6,7,7a-octahydroisoindole-5-carbonitrile
CID 130870168
(5aS,8aR)-3,3-dimethyl-5,5a,6,7,8,8a-hexahydro-1H-[1,3]dioxepino[5,6-c]pyrrole
CID 155821556
[13-amino-6-(hydroxymethyl)-13-methyl-1,4,8,11-tetrazacyclotetradec-6-yl]methanol
CID 102468489
7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine
CID 167138391
(3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine
CID 70395602

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine?
The IUPAC name of 7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine (CID 144764564) is 7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine.
What is the SMILES notation for 7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine?
The canonical SMILES for 7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine is CC1(N)CNCC2CNCC2C1.
What is the InChIKey of 7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine?
The InChIKey is XGKSGWSLYBJHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(10)2-7-3-11-4-8(7)5-12-6-9/h7-8,11-12H,2-6,10H2,1H3.
What are the key properties of 7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine?
7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine has a molecular weight of 169.27 g/mol, XLogP of -0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-7-amine is sourced from PubChem (CID 144764564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).