ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine

C24H54N4 — CID 143040280

IUPACethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine
SMILESC=CCC1CCC(C)(CCN)C1.CC.CC.CC.CN1CC2CNCC2(N)C1
InChIInChI=1S/C11H21N.C7H15N3.3C2H6/c1-3-4-10-5-6-11(2,9-10)7-8-12;1-10-3-6-2-9-4-7(6,8)5-10;3*1-2/h3,10H,1,4-9,12H2,2H3;6,9H,2-5,8H2,1H3;3*1-2H3
InChIKeyBYMKHAHWFRMXRJ-UHFFFAOYSA-N
MW398.72 g/mol
LogP4.64
Rot. Bonds4

About ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine

ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine (PubChem CID 143040280) has the molecular formula C24H54N4 and a molecular weight of 398.72 g/mol. Its IUPAC name is ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine.

Molecular Properties

Compound Nameethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine
PubChem CID143040280
Molecular FormulaC24H54N4
Molecular Weight398.72 g/mol
Exact Mass398.43
IUPAC Nameethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine
SMILESC=CCC1CCC(C)(CCN)C1.CC.CC.CC.CN1CC2CNCC2(N)C1
InChIInChI=1S/C11H21N.C7H15N3.3C2H6/c1-3-4-10-5-6-11(2,9-10)7-8-12;1-10-3-6-2-9-4-7(6,8)5-10;3*1-2/h3,10H,1,4-9,12H2,2H3;6,9H,2-5,8H2,1H3;3*1-2H3
InChIKeyBYMKHAHWFRMXRJ-UHFFFAOYSA-N
XLogP4.64
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.72
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine with MolForge

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Related Compounds

5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine
CID 143040281
(3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
CID 69172529
3-but-3-enyl-3-methylcyclopentan-1-amine
CID 116538762
(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 147184250
1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 58944885
2-(3-ethynyl-1-methylcyclobutyl)ethanamine
CID 137413142
methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate
CID 163446340
1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine
CID 143494169
formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine
CID 143596022
(3-ethyl-1-methylcyclopentyl)methanamine
CID 65407293
(2R)-5,5-dimethyl-2-prop-2-enylpiperidine
CID 11321066
1-methyl-2-prop-2-enylpiperazine
CID 22918318

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine?
The IUPAC name of ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine (CID 143040280) is ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine.
What is the SMILES notation for ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine?
The canonical SMILES for ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine is C=CCC1CCC(C)(CCN)C1.CC.CC.CC.CN1CC2CNCC2(N)C1.
What is the InChIKey of ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine?
The InChIKey is BYMKHAHWFRMXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C7H15N3.3C2H6/c1-3-4-10-5-6-11(2,9-10)7-8-12;1-10-3-6-2-9-4-7(6,8)5-10;3*1-2/h3,10H,1,4-9,12H2,2H3;6,9H,2-5,8H2,1H3;3*1-2H3.
What are the key properties of ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine?
ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine has a molecular weight of 398.72 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine;2-(1-methyl-3-prop-2-enylcyclopentyl)ethanamine is sourced from PubChem (CID 143040280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).