2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one

C11H21N3O — CID 175850745

IUPAC2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCCC1(N)NC(=O)C2(CCCC2)N1
InChIInChI=1S/C11H21N3O/c1-2-3-8-11(12)13-9(15)10(14-11)6-4-5-7-10/h14H,2-8,12H2,1H3,(H,13,15)
InChIKeyJEQQYKDPQGJVCU-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.82
Rot. Bonds3

About 2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one

2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 175850745) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID175850745
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCCC1(N)NC(=O)C2(CCCC2)N1
InChIInChI=1S/C11H21N3O/c1-2-3-8-11(12)13-9(15)10(14-11)6-4-5-7-10/h14H,2-8,12H2,1H3,(H,13,15)
InChIKeyJEQQYKDPQGJVCU-UHFFFAOYSA-N
XLogP0.82
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-butylcyclohexan-1-amine
CID 13182498
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
4-butyl-4-methylazetidin-2-one
CID 100957433
5,10-diazadispiro[2.2.26.23]decane-4,9-dione
CID 67427050
1-heptylcycloheptan-1-amine
CID 63407607
9-ethyl-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886492
(2S)-2-butyl-2-methylcyclohexan-1-one
CID 10080777
2,2,6,6-tetrabutylpiperidine
CID 22415175
azane;1-propylcyclopentan-1-amine
CID 118268242
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one (CID 175850745) is 2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one is CCCCC1(N)NC(=O)C2(CCCC2)N1.
What is the InChIKey of 2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is JEQQYKDPQGJVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-3-8-11(12)13-9(15)10(14-11)6-4-5-7-10/h14H,2-8,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one?
2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 211.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-butyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 175850745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).