10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane

C19H30N2 — CID 64870965

IUPAC10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
SMILESCc1cccc(CN2CC3(CCCCC3)NCCC2C)c1
InChIInChI=1S/C19H30N2/c1-16-7-6-8-18(13-16)14-21-15-19(10-4-3-5-11-19)20-12-9-17(21)2/h6-8,13,17,20H,3-5,9-12,14-15H2,1-2H3
InChIKeyFLYOWAANOLOGNH-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.88
Rot. Bonds2

About 10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane

10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane (PubChem CID 64870965) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
PubChem CID64870965
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
SMILESCc1cccc(CN2CC3(CCCCC3)NCCC2C)c1
InChIInChI=1S/C19H30N2/c1-16-7-6-8-18(13-16)14-21-15-19(10-4-3-5-11-19)20-12-9-17(21)2/h6-8,13,17,20H,3-5,9-12,14-15H2,1-2H3
InChIKeyFLYOWAANOLOGNH-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64872357
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875834
10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869306
5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64860604
10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane
CID 64871995
11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane
CID 64870765
10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 64949372
10-methyl-11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64870179
3-cyclopropyl-7-methyl-1-[(3-methylphenyl)methyl]-1,4-diazepane
CID 64870444
1-[(3-bromophenyl)methyl]-3-cyclopropyl-3,7-dimethyl-1,4-diazepane
CID 64871008
3,3,7-trimethyl-1-[(4-methylphenyl)methyl]-1,4-diazepane
CID 64869807

Frequently Asked Questions

What is the IUPAC name of 10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane (CID 64870965) is 10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane is Cc1cccc(CN2CC3(CCCCC3)NCCC2C)c1.
What is the InChIKey of 10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane?
The InChIKey is FLYOWAANOLOGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-7-6-8-18(13-16)14-21-15-19(10-4-3-5-11-19)20-12-9-17(21)2/h6-8,13,17,20H,3-5,9-12,14-15H2,1-2H3.
What are the key properties of 10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane?
10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane has a molecular weight of 286.46 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64870965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).