5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene

C13H20N2 — CID 170607542

IUPAC5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene
SMILESC=CC1=C(/C=C\C)N(C)CC2(CC2)N1C
InChIInChI=1S/C13H20N2/c1-5-7-12-11(6-2)15(4)13(8-9-13)10-14(12)3/h5-7H,2,8-10H2,1,3-4H3/b7-5-
InChIKeyMDHRJXMCEGKMHB-ALCCZGGFSA-N
MW204.32 g/mol
LogP2.37
Rot. Bonds2

About 5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene

5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene (PubChem CID 170607542) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene.

Molecular Properties

Compound Name5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene
PubChem CID170607542
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene
SMILESC=CC1=C(/C=C\C)N(C)CC2(CC2)N1C
InChIInChI=1S/C13H20N2/c1-5-7-12-11(6-2)15(4)13(8-9-13)10-14(12)3/h5-7H,2,8-10H2,1,3-4H3/b7-5-
InChIKeyMDHRJXMCEGKMHB-ALCCZGGFSA-N
XLogP2.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane
CID 144662372
6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine
CID 123162362
N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine
CID 130424148
4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine
CID 145160547
1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine
CID 177359044

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene?
The IUPAC name of 5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene (CID 170607542) is 5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene.
What is the SMILES notation for 5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene?
The canonical SMILES for 5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene is C=CC1=C(/C=C\C)N(C)CC2(CC2)N1C.
What is the InChIKey of 5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene?
The InChIKey is MDHRJXMCEGKMHB-ALCCZGGFSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-7-12-11(6-2)15(4)13(8-9-13)10-14(12)3/h5-7H,2,8-10H2,1,3-4H3/b7-5-.
What are the key properties of 5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene?
5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene has a molecular weight of 204.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene is sourced from PubChem (CID 170607542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).