7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane

C19H30N2 — CID 45236934

IUPAC7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
SMILESCCCN1CCC2(CCCN(Cc3cccc(C)c3)C2)C1
InChIInChI=1S/C19H30N2/c1-3-10-20-12-9-19(15-20)8-5-11-21(16-19)14-18-7-4-6-17(2)13-18/h4,6-7,13H,3,5,8-12,14-16H2,1-2H3
InChIKeyICSUAVLOVCDTPJ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.69
Rot. Bonds4

About 7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane

7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane (PubChem CID 45236934) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
PubChem CID45236934
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
SMILESCCCN1CCC2(CCCN(Cc3cccc(C)c3)C2)C1
InChIInChI=1S/C19H30N2/c1-3-10-20-12-9-19(15-20)8-5-11-21(16-19)14-18-7-4-6-17(2)13-18/h4,6-7,13H,3,5,8-12,14-16H2,1-2H3
InChIKeyICSUAVLOVCDTPJ-UHFFFAOYSA-N
XLogP3.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone
CID 42594463
N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 126438656
2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 45247545
N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 126442354
N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine
CID 28980054
5-[[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 56715166
7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45230882
cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45238198
[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45191159
furan-3-yl-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 26402063
1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 45170919
9-ethyl-2-propyl-2,9-diazaspiro[4.5]decane
CID 129100662

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane (CID 45236934) is 7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane is CCCN1CCC2(CCCN(Cc3cccc(C)c3)C2)C1.
What is the InChIKey of 7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane?
The InChIKey is ICSUAVLOVCDTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-10-20-12-9-19(15-20)8-5-11-21(16-19)14-18-7-4-6-17(2)13-18/h4,6-7,13H,3,5,8-12,14-16H2,1-2H3.
What are the key properties of 7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane?
7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane has a molecular weight of 286.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 45236934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).