1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one

C16H30N2O — CID 170177648

IUPAC1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one
SMILESCCC(=O)CN1CCC2(CC1)CCN(C(C)C)CC2
InChIInChI=1S/C16H30N2O/c1-4-15(19)13-17-9-5-16(6-10-17)7-11-18(12-8-16)14(2)3/h14H,4-13H2,1-3H3
InChIKeyULTCVIOHBWGHST-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.55
Rot. Bonds4

About 1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one

1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one (PubChem CID 170177648) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one.

Molecular Properties

Compound Name1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one
PubChem CID170177648
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one
SMILESCCC(=O)CN1CCC2(CC1)CCN(C(C)C)CC2
InChIInChI=1S/C16H30N2O/c1-4-15(19)13-17-9-5-16(6-10-17)7-11-18(12-8-16)14(2)3/h14H,4-13H2,1-3H3
InChIKeyULTCVIOHBWGHST-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
2-[4-(1-carboxyethyl)-7-(2-oxobutyl)-1,4,7-triazonan-1-yl]propanoic acid
CID 156732078
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948
2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
CID 167326865
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
N,N-dimethyl-2-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)ethanamine
CID 176824106
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one
CID 178000182
2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one
CID 170031553
4-ethyl-1-propan-2-ylpiperidin-4-ol;3-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde
CID 177010482
1-piperazin-1-ylbutan-2-one;hydrochloride
CID 69258100

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one?
The IUPAC name of 1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one (CID 170177648) is 1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one.
What is the SMILES notation for 1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one?
The canonical SMILES for 1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one is CCC(=O)CN1CCC2(CC1)CCN(C(C)C)CC2.
What is the InChIKey of 1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one?
The InChIKey is ULTCVIOHBWGHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-15(19)13-17-9-5-16(6-10-17)7-11-18(12-8-16)14(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one?
1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one has a molecular weight of 266.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one is sourced from PubChem (CID 170177648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).