4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one

C17H29N3O — CID 79967360

IUPAC4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESCC(C)(C)C1CCCC2(CC1)C(N)=NC(=O)N2CC1CC1
InChIInChI=1S/C17H29N3O/c1-16(2,3)13-5-4-9-17(10-8-13)14(18)19-15(21)20(17)11-12-6-7-12/h12-13H,4-11H2,1-3H3,(H2,18,19,21)
InChIKeyMVTPEJJPBAGBQK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.55
Rot. Bonds2

About 4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one

4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one (PubChem CID 79967360) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
PubChem CID79967360
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESCC(C)(C)C1CCCC2(CC1)C(N)=NC(=O)N2CC1CC1
InChIInChI=1S/C17H29N3O/c1-16(2,3)13-5-4-9-17(10-8-13)14(18)19-15(21)20(17)11-12-6-7-12/h12-13H,4-11H2,1-3H3,(H2,18,19,21)
InChIKeyMVTPEJJPBAGBQK-UHFFFAOYSA-N
XLogP3.55
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79985069
4-amino-1-(cyclopropylmethyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967350
4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79968201
4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79985558
4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79961054
4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967912
4-amino-1,8-diethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961824
4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960281
4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one
CID 112739896
4-amino-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960085
8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one
CID 138389767
4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 114420905

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one (CID 79967360) is 4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one is CC(C)(C)C1CCCC2(CC1)C(N)=NC(=O)N2CC1CC1.
What is the InChIKey of 4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one?
The InChIKey is MVTPEJJPBAGBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-16(2,3)13-5-4-9-17(10-8-13)14(18)19-15(21)20(17)11-12-6-7-12/h12-13H,4-11H2,1-3H3,(H2,18,19,21).
What are the key properties of 4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one?
4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one has a molecular weight of 291.44 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79967360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).