(2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one

C14H28N4O — CID 56742517

IUPAC(2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C14H28N4O/c1-4-12(15)13(19)18-10-9-17(3)14(11-18)5-7-16(2)8-6-14/h12H,4-11,15H2,1-3H3/t12-/m0/s1
InChIKeyLDRSFXVRDBIASZ-LBPRGKRZSA-N
MW268.40 g/mol
LogP-0.04
Rot. Bonds2

About (2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one

(2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one (PubChem CID 56742517) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one
PubChem CID56742517
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name(2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C14H28N4O/c1-4-12(15)13(19)18-10-9-17(3)14(11-18)5-7-16(2)8-6-14/h12H,4-11,15H2,1-3H3/t12-/m0/s1
InChIKeyLDRSFXVRDBIASZ-LBPRGKRZSA-N
XLogP-0.04
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one with MolForge

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Related Compounds

[1,4'-Bipiperidine]-4'-carboxamide
CID 96486
2-(S)-Amino-1-piperidin-1-yl-4-(piperidin-4-ylamino)-butan-1-one
CID 9970277
(S)-4-Amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)-butan-1-one
CID 10468265
4-Piperidyl-1-propanoylpiperidine-4-carboxamide
CID 1505268
(2S,3S)-2-amino-3-methyl-1-(piperidin-1-yl)pentan-1-one
CID 10821833
3-Methyl-1-oxo-1-piperidin-1-ylpentan-2-aminium
CID 24692381
1-Methyl-4-(piperidine-4-carbonyl)piperazine
CID 2760037
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
[1,4'-Bipiperidine]-4'-carboxamide monohydrochloride
CID 44146516
2-[4-(Methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 50989053
(2S)-2-amino-1-(3-((dimethylamino)methyl)piperidin-1-yl)-3-methylbutan-1-one
CID 66568038
4-(4-Aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789941

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one (CID 56742517) is (2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one is CC[C@H](N)C(=O)N1CCN(C)C2(CCN(C)CC2)C1.
What is the InChIKey of (2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one?
The InChIKey is LDRSFXVRDBIASZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N4O/c1-4-12(15)13(19)18-10-9-17(3)14(11-18)5-7-16(2)8-6-14/h12H,4-11,15H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one?
(2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one has a molecular weight of 268.40 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)butan-1-one is sourced from PubChem (CID 56742517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).