2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane

C19H30N2 — CID 79310836

IUPAC2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCC(C)C1CNCCC12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C19H30N2/c1-16(2)18-13-20-11-10-19(18)9-6-12-21(15-19)14-17-7-4-3-5-8-17/h3-5,7-8,16,18,20H,6,9-15H2,1-2H3
InChIKeyWEDBZGWTNXFKKN-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.53
Rot. Bonds3

About 2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane

2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 79310836) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID79310836
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCC(C)C1CNCCC12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C19H30N2/c1-16(2)18-13-20-11-10-19(18)9-6-12-21(15-19)14-17-7-4-3-5-8-17/h3-5,7-8,16,18,20H,6,9-15H2,1-2H3
InChIKeyWEDBZGWTNXFKKN-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane
CID 79321420
2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane
CID 79321591
2-benzyl-6-ethyl-2,8-diazaspiro[4.5]decane
CID 79320158
2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 113247774
2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione
CID 79309828
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
8-benzyl-3,8-diazaspiro[5.6]dodecane
CID 82665591
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol
CID 83669932

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane (CID 79310836) is 2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane is CC(C)C1CNCCC12CCCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is WEDBZGWTNXFKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16(2)18-13-20-11-10-19(18)9-6-12-21(15-19)14-17-7-4-3-5-8-17/h3-5,7-8,16,18,20H,6,9-15H2,1-2H3.
What are the key properties of 2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane?
2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 286.46 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 79310836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).