10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane

C17H26N2 — CID 64869306

IUPAC10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane
SMILESCc1cccc(CN2CCCNC3(CCCC3)C2)c1
InChIInChI=1S/C17H26N2/c1-15-6-4-7-16(12-15)13-19-11-5-10-18-17(14-19)8-2-3-9-17/h4,6-7,12,18H,2-3,5,8-11,13-14H2,1H3
InChIKeyJFYVZLVKLHPQJL-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.10
Rot. Bonds2

About 10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane

10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane (PubChem CID 64869306) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane
PubChem CID64869306
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane
SMILESCc1cccc(CN2CCCNC3(CCCC3)C2)c1
InChIInChI=1S/C17H26N2/c1-15-6-4-7-16(12-15)13-19-11-5-10-18-17(14-19)8-2-3-9-17/h4,6-7,12,18H,2-3,5,8-11,13-14H2,1H3
InChIKeyJFYVZLVKLHPQJL-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 64949372
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
10-(pyridin-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64871680
11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 106870402
10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64948996
10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869301
10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64870965
10-[(2,6-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64870099
11-[(2,6-dichlorophenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64859040
9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875834
10-[(2,3-difluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869501

Frequently Asked Questions

What is the IUPAC name of 10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane (CID 64869306) is 10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane is Cc1cccc(CN2CCCNC3(CCCC3)C2)c1.
What is the InChIKey of 10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane?
The InChIKey is JFYVZLVKLHPQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-15-6-4-7-16(12-15)13-19-11-5-10-18-17(14-19)8-2-3-9-17/h4,6-7,12,18H,2-3,5,8-11,13-14H2,1H3.
What are the key properties of 10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane?
10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane has a molecular weight of 258.41 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64869306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).