cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane

C17H29NO2 — CID 143411995

IUPACcis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane
SMILESC=CCO[C@@H]1C[C@H](N)/C(=C/C(=C\CC)OC)C1=C.CC
InChIInChI=1S/C15H23NO2.C2H6/c1-5-7-12(17-4)9-13-11(3)15(10-14(13)16)18-8-6-2;1-2/h6-7,9,14-15H,2-3,5,8,10,16H2,1,4H3;1-2H3/b12-7+,13-9+;/t14-,15+;/m0./s1
InChIKeyIVGBRKXYLUERLU-AMVMIKFCSA-N
MW279.42 g/mol
LogP3.74
Rot. Bonds6

About cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane

cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane (PubChem CID 143411995) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane.

Molecular Properties

Compound Namecis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane
PubChem CID143411995
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Namecis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane
SMILESC=CCO[C@@H]1C[C@H](N)/C(=C/C(=C\CC)OC)C1=C.CC
InChIInChI=1S/C15H23NO2.C2H6/c1-5-7-12(17-4)9-13-11(3)15(10-14(13)16)18-8-6-2;1-2/h6-7,9,14-15H,2-3,5,8,10,16H2,1,4H3;1-2H3/b12-7+,13-9+;/t14-,15+;/m0./s1
InChIKeyIVGBRKXYLUERLU-AMVMIKFCSA-N
XLogP3.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine
CID 70974500
4-Cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine
CID 89073833
ethane;3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143411990
(5E)-5-ethyl-4-[[(Z)-5-methoxy-2,6-dimethylhept-4-en-3-yl]oxymethyl]-6-methylocta-1,5,7-trien-3-amine
CID 155151158
3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143411991
cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine
CID 143411996

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane?
The IUPAC name of cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane (CID 143411995) is cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane.
What is the SMILES notation for cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane?
The canonical SMILES for cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane is C=CCO[C@@H]1C[C@H](N)/C(=C/C(=C\CC)OC)C1=C.CC.
What is the InChIKey of cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane?
The InChIKey is IVGBRKXYLUERLU-AMVMIKFCSA-N. The full InChI is InChI=1S/C15H23NO2.C2H6/c1-5-7-12(17-4)9-13-11(3)15(10-14(13)16)18-8-6-2;1-2/h6-7,9,14-15H,2-3,5,8,10,16H2,1,4H3;1-2H3/b12-7+,13-9+;/t14-,15+;/m0./s1.
What are the key properties of cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane?
cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane has a molecular weight of 279.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane is sourced from PubChem (CID 143411995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).