2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine

C14H28N2 — CID 79926914

IUPAC2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
SMILESCCC(C)(C)N1CCCN2CCCCC2C1
InChIInChI=1S/C14H28N2/c1-4-14(2,3)16-11-7-10-15-9-6-5-8-13(15)12-16/h13H,4-12H2,1-3H3
InChIKeyNMZOZKXXCXMWLA-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.74
Rot. Bonds2

About 2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine

2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine (PubChem CID 79926914) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
PubChem CID79926914
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
SMILESCCC(C)(C)N1CCCN2CCCCC2C1
InChIInChI=1S/C14H28N2/c1-4-14(2,3)16-11-7-10-15-9-6-5-8-13(15)12-16/h13H,4-12H2,1-3H3
InChIKeyNMZOZKXXCXMWLA-UHFFFAOYSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
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CID 79939338
N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
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2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethylbutan-1-amine
CID 79937927
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
3-methyl-2-(2-methylbutan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931346
2-cyclobutyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926329
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,4-dimethylpentan-1-amine
CID 63150020
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methoxy-2-methylpropan-1-amine
CID 55166749
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747
1-(2-methylbutan-2-yl)pyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine?
The IUPAC name of 2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine (CID 79926914) is 2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine?
The canonical SMILES for 2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine is CCC(C)(C)N1CCCN2CCCCC2C1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine?
The InChIKey is NMZOZKXXCXMWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-14(2,3)16-11-7-10-15-9-6-5-8-13(15)12-16/h13H,4-12H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine?
2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine has a molecular weight of 224.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine is sourced from PubChem (CID 79926914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).