3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane

C20H34N2 — CID 144877176

IUPAC3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane
SMILESC=C(C)/C=C\C(CCN1CCC2(CCNCC2)CC1)=C(C)C
InChIInChI=1S/C20H34N2/c1-17(2)5-6-19(18(3)4)7-14-22-15-10-20(11-16-22)8-12-21-13-9-20/h5-6,21H,1,7-16H2,2-4H3/b6-5-
InChIKeyVEIHHDNRVZEGKC-WAYWQWQTSA-N
MW302.51 g/mol
LogP4.31
Rot. Bonds5

About 3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane

3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane (PubChem CID 144877176) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane
PubChem CID144877176
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane
SMILESC=C(C)/C=C\C(CCN1CCC2(CCNCC2)CC1)=C(C)C
InChIInChI=1S/C20H34N2/c1-17(2)5-6-19(18(3)4)7-14-22-15-10-20(11-16-22)8-12-21-13-9-20/h5-6,21H,1,7-16H2,2-4H3/b6-5-
InChIKeyVEIHHDNRVZEGKC-WAYWQWQTSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane (CID 144877176) is 3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane is C=C(C)/C=C\C(CCN1CCC2(CCNCC2)CC1)=C(C)C.
What is the InChIKey of 3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is VEIHHDNRVZEGKC-WAYWQWQTSA-N. The full InChI is InChI=1S/C20H34N2/c1-17(2)5-6-19(18(3)4)7-14-22-15-10-20(11-16-22)8-12-21-13-9-20/h5-6,21H,1,7-16H2,2-4H3/b6-5-.
What are the key properties of 3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane?
3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 302.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z)-6-methyl-3-propan-2-ylidenehepta-4,6-dienyl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 144877176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).