(6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one

C19H32N4O2 — CID 160626014

IUPAC(6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one
SMILESCC[C@@]1(C)CCCCn2nncc2CC[C@@](C)(C(=O)CN)CCC1=O
InChIInChI=1S/C19H32N4O2/c1-4-18(2)9-5-6-12-23-15(14-21-22-23)7-10-19(3,17(25)13-20)11-8-16(18)24/h14H,4-13,20H2,1-3H3/t18-,19+/m0/s1
InChIKeyRHHPZHSFNABQEU-RBUKOAKNSA-N
MW348.49 g/mol
LogP2.69
Rot. Bonds3

About (6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one

(6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one (PubChem CID 160626014) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one.

Molecular Properties

Compound Name(6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one
PubChem CID160626014
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one
SMILESCC[C@@]1(C)CCCCn2nncc2CC[C@@](C)(C(=O)CN)CCC1=O
InChIInChI=1S/C19H32N4O2/c1-4-18(2)9-5-6-12-23-15(14-21-22-23)7-10-19(3,17(25)13-20)11-8-16(18)24/h14H,4-13,20H2,1-3H3/t18-,19+/m0/s1
InChIKeyRHHPZHSFNABQEU-RBUKOAKNSA-N
XLogP2.69
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6S,10S)-10-(2-aminoacetyl)-6,10-dimethyl-6-(methylamino)-1,9,16,17-tetrazabicyclo[12.3.0]heptadeca-14,16-dien-7-one
CID 58027943
(6R,10S)-6-acetyl-10-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[12.2.1]heptadeca-14(17),15-dien-9-one
CID 58427260
(6S,10R)-10-acetyl-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[12.2.1]heptadeca-14(17),15-dien-7-one
CID 58427240
(6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one
CID 58571239
(5R,9R)-9-(2-aminoacetyl)-5,9-dimethyl-5-(3-oxobutyl)-15,16-diazabicyclo[12.2.1]heptadeca-1(17),15-dien-6-one
CID 58488832
2-amino-1-(3-methylpiperidin-3-yl)ethanone
CID 115012172
2-ethyl-2-methylcyclooctane-1,5-dione
CID 141347991
(3Z,8R,12R)-12-(2-aminoacetyl)-8,12-dimethyl-8-(3-oxobutyl)-1,6-dithiacyclotridec-3-en-9-one
CID 148533327
2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride
CID 105437255
benzyl 4-ethyl-4-methyl-5-oxoazocane-1-carboxylate
CID 122548069
(6S,10S)-10-(2-aminoacetyl)-6,10-dimethyl-6-(methylamino)-1,9,15,16-tetrazabicyclo[12.2.1]heptadeca-14(17),15-dien-7-one
CID 58027941
2-amino-1-(1,4-dimethylcyclohexyl)ethanone
CID 70477833

Frequently Asked Questions

What is the IUPAC name of (6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one?
The IUPAC name of (6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one (CID 160626014) is (6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one.
What is the SMILES notation for (6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one?
The canonical SMILES for (6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one is CC[C@@]1(C)CCCCn2nncc2CC[C@@](C)(C(=O)CN)CCC1=O.
What is the InChIKey of (6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one?
The InChIKey is RHHPZHSFNABQEU-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-18(2)9-5-6-12-23-15(14-21-22-23)7-10-19(3,17(25)13-20)11-8-16(18)24/h14H,4-13,20H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of (6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one?
(6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one has a molecular weight of 348.49 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one is sourced from PubChem (CID 160626014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).