2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde

C24H40N2O — CID 162837488

IUPAC2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde
SMILESC=C1CCC2C(C3CC(C)CC13)C2(CCC1CCC(CNC)C1)C(N)C=O
InChIInChI=1S/C24H40N2O/c1-15-10-19-16(2)4-7-21-23(20(19)11-15)24(21,22(25)14-27)9-8-17-5-6-18(12-17)13-26-3/h14-15,17-23,26H,2,4-13,25H2,1,3H3
InChIKeyGIYAHDCKVSHGMU-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.17
Rot. Bonds7

About 2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde

2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde (PubChem CID 162837488) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is 2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde
PubChem CID162837488
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde
SMILESC=C1CCC2C(C3CC(C)CC13)C2(CCC1CCC(CNC)C1)C(N)C=O
InChIInChI=1S/C24H40N2O/c1-15-10-19-16(2)4-7-21-23(20(19)11-15)24(21,22(25)14-27)9-8-17-5-6-18(12-17)13-26-3/h14-15,17-23,26H,2,4-13,25H2,1,3H3
InChIKeyGIYAHDCKVSHGMU-UHFFFAOYSA-N
XLogP4.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde?
The IUPAC name of 2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde (CID 162837488) is 2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde.
What is the SMILES notation for 2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde?
The canonical SMILES for 2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde is C=C1CCC2C(C3CC(C)CC13)C2(CCC1CCC(CNC)C1)C(N)C=O.
What is the InChIKey of 2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde?
The InChIKey is GIYAHDCKVSHGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O/c1-15-10-19-16(2)4-7-21-23(20(19)11-15)24(21,22(25)14-27)9-8-17-5-6-18(12-17)13-26-3/h14-15,17-23,26H,2,4-13,25H2,1,3H3.
What are the key properties of 2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde?
2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde has a molecular weight of 372.60 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-methyl-1-[2-[3-(methylaminomethyl)cyclopentyl]ethyl]-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-1-yl]acetaldehyde is sourced from PubChem (CID 162837488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).