[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane

C24H45NO2 — CID 159139500

IUPAC[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane
SMILESC.C.C.C=CC1CC(/C=C\C2CC(C=C)C(COCC3CO3)C2)C(CN)C1
InChIInChI=1S/C21H33NO2.3CH4/c1-3-15-7-18(19(8-15)11-22)6-5-16-9-17(4-2)20(10-16)12-23-13-21-14-24-21;;;/h3-6,15-21H,1-2,7-14,22H2;3*1H4/b6-5-;;;
InChIKeyKHXLYAFPWUZDCK-WTUPQPTJSA-N
MW379.63 g/mol
LogP5.48
Rot. Bonds9

About [4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane

[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane (PubChem CID 159139500) has the molecular formula C24H45NO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is [4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane.

Molecular Properties

Compound Name[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane
PubChem CID159139500
Molecular FormulaC24H45NO2
Molecular Weight379.63 g/mol
Exact Mass379.35
IUPAC Name[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane
SMILESC.C.C.C=CC1CC(/C=C\C2CC(C=C)C(COCC3CO3)C2)C(CN)C1
InChIInChI=1S/C21H33NO2.3CH4/c1-3-15-7-18(19(8-15)11-22)6-5-16-9-17(4-2)20(10-16)12-23-13-21-14-24-21;;;/h3-6,15-21H,1-2,7-14,22H2;3*1H4/b6-5-;;;
InChIKeyKHXLYAFPWUZDCK-WTUPQPTJSA-N
XLogP5.48
TPSA47.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.63
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[[2,4-bis(ethenyl)cyclopentyl]methoxy]-2-hydroxypropyl]-diethyl-propylazanium;2-[[2,4-bis(ethenyl)cyclopentyl]methoxymethyl]oxirane;N,N-diethylethanamine;methane;acetate
CID 159204026
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
2-(4-prop-2-enoxybutoxymethyl)oxirane
CID 86229247
hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175215443
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236
tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174535709
methoxysilane;2-(prop-2-enoxymethyl)oxirane
CID 173273777
ethene;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174606995
methoxyethene;2-(prop-2-enoxymethyl)oxirane
CID 174894893
2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane
CID 15527223

Frequently Asked Questions

What is the IUPAC name of [4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane?
The IUPAC name of [4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane (CID 159139500) is [4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane.
What is the SMILES notation for [4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane?
The canonical SMILES for [4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane is C.C.C.C=CC1CC(/C=C\C2CC(C=C)C(COCC3CO3)C2)C(CN)C1.
What is the InChIKey of [4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane?
The InChIKey is KHXLYAFPWUZDCK-WTUPQPTJSA-N. The full InChI is InChI=1S/C21H33NO2.3CH4/c1-3-15-7-18(19(8-15)11-22)6-5-16-9-17(4-2)20(10-16)12-23-13-21-14-24-21;;;/h3-6,15-21H,1-2,7-14,22H2;3*1H4/b6-5-;;;.
What are the key properties of [4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane?
[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane has a molecular weight of 379.63 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane is sourced from PubChem (CID 159139500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).