ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane

C19H34N2 — CID 143590775

IUPACethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane
SMILESCC.CC1CC=CC=C1CN1CCC2(CCNCC2)CC1
InChIInChI=1S/C17H28N2.C2H6/c1-15-4-2-3-5-16(15)14-19-12-8-17(9-13-19)6-10-18-11-7-17;1-2/h2-3,5,15,18H,4,6-14H2,1H3;1-2H3
InChIKeyLVFJGRJHTGCLQJ-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.00
Rot. Bonds2

About ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane

ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane (PubChem CID 143590775) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane
PubChem CID143590775
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Nameethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane
SMILESCC.CC1CC=CC=C1CN1CCC2(CCNCC2)CC1
InChIInChI=1S/C17H28N2.C2H6/c1-15-4-2-3-5-16(15)14-19-12-8-17(9-13-19)6-10-18-11-7-17;1-2/h2-3,5,15,18H,4,6-14H2,1H3;1-2H3
InChIKeyLVFJGRJHTGCLQJ-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane (CID 143590775) is ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane is CC.CC1CC=CC=C1CN1CCC2(CCNCC2)CC1.
What is the InChIKey of ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is LVFJGRJHTGCLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C2H6/c1-15-4-2-3-5-16(15)14-19-12-8-17(9-13-19)6-10-18-11-7-17;1-2/h2-3,5,15,18H,4,6-14H2,1H3;1-2H3.
What are the key properties of ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane?
ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 290.50 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 143590775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).